3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid

C208H288N34O22 — CID 158073897

IUPAC3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
SMILESCC(=O)CN1CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1=O.CC(=O)CN1CCN(C(=O)NCCCc2ccc3c(n2)CCCC3)CC1=O.CC(=O)[C@@H](c1ccccc1)N1CCN(CCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCN(CCCCCc2ccc3c(n2)NCCC3)CC1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1.O=C(O)CN1CCC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1=O.O=C(O)CN1CCC(CN2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1
InChIInChI=1S/2C26H36N4O.2C25H31N3O3.C23H31N3O4.C23H35N3O2.C20H29N5O3.C20H31N5O2.C20H28N4O3/c2*1-21(31)25(22-9-4-2-5-10-22)30-19-17-29(18-20-30)16-7-3-6-12-24-14-13-23-11-8-15-27-26(23)28-24;2*29-24(26-15-6-10-21-13-12-18-7-4-5-11-22(18)27-21)20-14-16-28(17-20)23(25(30)31)19-8-2-1-3-9-19;27-21-14-18(9-12-26(21)15-22(28)29)23(30)25-10-7-16(8-11-25)13-19-6-5-17-3-1-2-4-20(17)24-19;27-23(28)17-26-13-9-19(10-14-26)16-25-11-7-18(8-12-25)15-21-6-5-20-3-1-2-4-22(20)24-21;1-15(26)13-24-11-12-25(14-18(24)27)20(28)22-9-3-2-6-17-8-7-16-5-4-10-21-19(16)23-17;1-16(26)15-24-11-13-25(14-12-24)20(27)22-9-3-2-6-18-8-7-17-5-4-10-21-19(17)23-18;1-15(25)13-23-11-12-24(14-19(23)26)20(27)21-10-4-6-17-9-8-16-5-2-3-7-18(16)22-17/h2*2,4-5,9-10,13-14,25H,3,6-8,11-12,15-20H2,1H3,(H,27,28);2*1-3,8-9,12-13,20,23H,4-7,10-11,14-17H2,(H,26,29)(H,30,31);5-6,16,18H,1-4,7-15H2,(H,28,29);5-6,18-19H,1-4,7-17H2,(H,27,28);7-8H,2-6,9-14H2,1H3,(H,21,23)(H,22,28);7-8H,2-6,9-15H2,1H3,(H,21,23)(H,22,27);8-9H,2-7,10-14H2,1H3,(H,21,27)/t2*25-;20-,23+;20-,23-;;;;;/m1011...../s1
InChIKeyFMDHJVJVVRNNSC-UVBMQGLSSA-N
MW3616.81 g/mol
LogP23.81
Rot. Bonds65

About 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid

3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid (PubChem CID 158073897) has the molecular formula C208H288N34O22 and a molecular weight of 3616.81 g/mol. Its IUPAC name is 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
PubChem CID158073897
Molecular FormulaC208H288N34O22
Molecular Weight3616.81 g/mol
Exact Mass3614.25
IUPAC Name3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
SMILESCC(=O)CN1CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1=O.CC(=O)CN1CCN(C(=O)NCCCc2ccc3c(n2)CCCC3)CC1=O.CC(=O)[C@@H](c1ccccc1)N1CCN(CCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCN(CCCCCc2ccc3c(n2)NCCC3)CC1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1.O=C(O)CN1CCC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1=O.O=C(O)CN1CCC(CN2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1
InChIInChI=1S/2C26H36N4O.2C25H31N3O3.C23H31N3O4.C23H35N3O2.C20H29N5O3.C20H31N5O2.C20H28N4O3/c2*1-21(31)25(22-9-4-2-5-10-22)30-19-17-29(18-20-30)16-7-3-6-12-24-14-13-23-11-8-15-27-26(23)28-24;2*29-24(26-15-6-10-21-13-12-18-7-4-5-11-22(18)27-21)20-14-16-28(17-20)23(25(30)31)19-8-2-1-3-9-19;27-21-14-18(9-12-26(21)15-22(28)29)23(30)25-10-7-16(8-11-25)13-19-6-5-17-3-1-2-4-20(17)24-19;27-23(28)17-26-13-9-19(10-14-26)16-25-11-7-18(8-12-25)15-21-6-5-20-3-1-2-4-22(20)24-21;1-15(26)13-24-11-12-25(14-18(24)27)20(28)22-9-3-2-6-17-8-7-16-5-4-10-21-19(16)23-17;1-16(26)15-24-11-13-25(14-12-24)20(27)22-9-3-2-6-18-8-7-17-5-4-10-21-19(17)23-18;1-15(25)13-23-11-12-24(14-19(23)26)20(27)21-10-4-6-17-9-8-16-5-2-3-7-18(16)22-17/h2*2,4-5,9-10,13-14,25H,3,6-8,11-12,15-20H2,1H3,(H,27,28);2*1-3,8-9,12-13,20,23H,4-7,10-11,14-17H2,(H,26,29)(H,30,31);5-6,16,18H,1-4,7-15H2,(H,28,29);5-6,18-19H,1-4,7-17H2,(H,27,28);7-8H,2-6,9-14H2,1H3,(H,21,23)(H,22,28);7-8H,2-6,9-15H2,1H3,(H,21,23)(H,22,27);8-9H,2-7,10-14H2,1H3,(H,21,27)/t2*25-;20-,23+;20-,23-;;;;;/m1011...../s1
InChIKeyFMDHJVJVVRNNSC-UVBMQGLSSA-N
XLogP23.81
TPSA664.30 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds65
Heavy Atoms264
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003616.81
LogP ≤ 523.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid (CID 158073897) is 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid is CC(=O)CN1CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1=O.CC(=O)CN1CCN(C(=O)NCCCc2ccc3c(n2)CCCC3)CC1=O.CC(=O)[C@@H](c1ccccc1)N1CCN(CCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCN(CCCCCc2ccc3c(n2)NCCC3)CC1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1.O=C(NCCCc1ccc2c(n1)CCCC2)[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1.O=C(O)CN1CCC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1=O.O=C(O)CN1CCC(CN2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1.
What is the InChIKey of 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid?
The InChIKey is FMDHJVJVVRNNSC-UVBMQGLSSA-N. The full InChI is InChI=1S/2C26H36N4O.2C25H31N3O3.C23H31N3O4.C23H35N3O2.C20H29N5O3.C20H31N5O2.C20H28N4O3/c2*1-21(31)25(22-9-4-2-5-10-22)30-19-17-29(18-20-30)16-7-3-6-12-24-14-13-23-11-8-15-27-26(23)28-24;2*29-24(26-15-6-10-21-13-12-18-7-4-5-11-22(18)27-21)20-14-16-28(17-20)23(25(30)31)19-8-2-1-3-9-19;27-21-14-18(9-12-26(21)15-22(28)29)23(30)25-10-7-16(8-11-25)13-19-6-5-17-3-1-2-4-20(17)24-19;27-23(28)17-26-13-9-19(10-14-26)16-25-11-7-18(8-12-25)15-21-6-5-20-3-1-2-4-22(20)24-21;1-15(26)13-24-11-12-25(14-18(24)27)20(28)22-9-3-2-6-17-8-7-16-5-4-10-21-19(16)23-17;1-16(26)15-24-11-13-25(14-12-24)20(27)22-9-3-2-6-18-8-7-17-5-4-10-21-19(17)23-18;1-15(25)13-23-11-12-24(14-19(23)26)20(27)21-10-4-6-17-9-8-16-5-2-3-7-18(16)22-17/h2*2,4-5,9-10,13-14,25H,3,6-8,11-12,15-20H2,1H3,(H,27,28);2*1-3,8-9,12-13,20,23H,4-7,10-11,14-17H2,(H,26,29)(H,30,31);5-6,16,18H,1-4,7-15H2,(H,28,29);5-6,18-19H,1-4,7-17H2,(H,27,28);7-8H,2-6,9-14H2,1H3,(H,21,23)(H,22,28);7-8H,2-6,9-15H2,1H3,(H,21,23)(H,22,27);8-9H,2-7,10-14H2,1H3,(H,21,27)/t2*25-;20-,23+;20-,23-;;;;;/m1011...../s1.
What are the key properties of 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid?
3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid has a molecular weight of 3616.81 g/mol, XLogP of 23.81, 65 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;4-(2-oxopropyl)-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]piperazine-1-carboxamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;(1S)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]propan-2-one;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;2-[4-[[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 158073897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).