(2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one

C184H254N26O19 — CID 157252835

IUPAC(2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CC(NC(=O)CCCc2ccc3c(n2)NCCC3)C1.CC(=O)CN1CCC(CCCCCc2ccc3c(n2)CCCC3)CC1.CC(=O)CN1CCC(NC(=O)CCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCN(C(=O)NCCCc2ccc3c(n2)CCCC3)[C@@H](CO)C1=O.CC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(C(=O)O)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)C(c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/C27H33N3O3.2C27H35N3O2.C22H31N3O3.C22H34N2O.C21H30N4O4.C20H30N4O2.C18H26N4O2/c31-26(22-17-30(18-22)25(27(32)33)21-7-2-1-3-8-21)29-14-12-19(13-15-29)16-23-11-10-20-6-4-5-9-24(20)28-23;2*1-20(31)26(22-8-3-2-4-9-22)30-18-15-21(16-19-30)25(32)12-6-5-11-24-14-13-23-10-7-17-28-27(23)29-24;1-15(22(27)28)25-13-18(14-25)21(26)24-10-8-16(9-11-24)12-19-7-6-17-4-2-3-5-20(17)23-19;1-18(25)17-24-15-13-19(14-16-24)7-3-2-4-9-21-12-11-20-8-5-6-10-22(20)23-21;1-15(27)13-24-11-12-25(19(14-26)20(24)28)21(29)22-10-4-6-17-9-8-16-5-2-3-7-18(16)23-17;1-15(25)14-24-12-9-18(10-13-24)22-19(26)6-2-5-17-8-7-16-4-3-11-21-20(16)23-17;1-13(23)10-22-11-16(12-22)20-17(24)6-2-5-15-8-7-14-4-3-9-19-18(14)21-15/h1-3,7-8,10-11,19,22,25H,4-6,9,12-18H2,(H,32,33);2*2-4,8-9,13-14,21,26H,5-7,10-12,15-19H2,1H3,(H,28,29);6-7,15-16,18H,2-5,8-14H2,1H3,(H,27,28);11-12,19H,2-10,13-17H2,1H3;8-9,19,26H,2-7,10-14H2,1H3,(H,22,29);7-8,18H,2-6,9-14H2,1H3,(H,21,23)(H,22,26);7-8,16H,2-6,9-12H2,1H3,(H,19,21)(H,20,24)/t;2*26-;;;19-;;/m.10..0../s1
InChIKeyAWNOEQZVCZHWMJ-FXXYPUJISA-N
MW3134.22 g/mol
LogP23.32
Rot. Bonds58

About (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one

(2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one (PubChem CID 157252835) has the molecular formula C184H254N26O19 and a molecular weight of 3134.22 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one
PubChem CID157252835
Molecular FormulaC184H254N26O19
Molecular Weight3134.22 g/mol
Exact Mass3131.97
IUPAC Name(2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CC(NC(=O)CCCc2ccc3c(n2)NCCC3)C1.CC(=O)CN1CCC(CCCCCc2ccc3c(n2)CCCC3)CC1.CC(=O)CN1CCC(NC(=O)CCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCN(C(=O)NCCCc2ccc3c(n2)CCCC3)[C@@H](CO)C1=O.CC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(C(=O)O)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)C(c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/C27H33N3O3.2C27H35N3O2.C22H31N3O3.C22H34N2O.C21H30N4O4.C20H30N4O2.C18H26N4O2/c31-26(22-17-30(18-22)25(27(32)33)21-7-2-1-3-8-21)29-14-12-19(13-15-29)16-23-11-10-20-6-4-5-9-24(20)28-23;2*1-20(31)26(22-8-3-2-4-9-22)30-18-15-21(16-19-30)25(32)12-6-5-11-24-14-13-23-10-7-17-28-27(23)29-24;1-15(22(27)28)25-13-18(14-25)21(26)24-10-8-16(9-11-24)12-19-7-6-17-4-2-3-5-20(17)23-19;1-18(25)17-24-15-13-19(14-16-24)7-3-2-4-9-21-12-11-20-8-5-6-10-22(20)23-21;1-15(27)13-24-11-12-25(19(14-26)20(24)28)21(29)22-10-4-6-17-9-8-16-5-2-3-7-18(16)23-17;1-15(25)14-24-12-9-18(10-13-24)22-19(26)6-2-5-17-8-7-16-4-3-11-21-20(16)23-17;1-13(23)10-22-11-16(12-22)20-17(24)6-2-5-15-8-7-14-4-3-9-19-18(14)21-15/h1-3,7-8,10-11,19,22,25H,4-6,9,12-18H2,(H,32,33);2*2-4,8-9,13-14,21,26H,5-7,10-12,15-19H2,1H3,(H,28,29);6-7,15-16,18H,2-5,8-14H2,1H3,(H,27,28);11-12,19H,2-10,13-17H2,1H3;8-9,19,26H,2-7,10-14H2,1H3,(H,22,29);7-8,18H,2-6,9-14H2,1H3,(H,21,23)(H,22,26);7-8,16H,2-6,9-12H2,1H3,(H,19,21)(H,20,24)/t;2*26-;;;19-;;/m.10..0../s1
InChIKeyAWNOEQZVCZHWMJ-FXXYPUJISA-N
XLogP23.32
TPSA556.78 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds58
Heavy Atoms229
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003134.22
LogP ≤ 523.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one?
The IUPAC name of (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one (CID 157252835) is (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one?
The canonical SMILES for (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one is CC(=O)CN1CC(NC(=O)CCCc2ccc3c(n2)NCCC3)C1.CC(=O)CN1CCC(CCCCCc2ccc3c(n2)CCCC3)CC1.CC(=O)CN1CCC(NC(=O)CCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCN(C(=O)NCCCc2ccc3c(n2)CCCC3)[C@@H](CO)C1=O.CC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(C(=O)O)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)C(c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one?
The InChIKey is AWNOEQZVCZHWMJ-FXXYPUJISA-N. The full InChI is InChI=1S/C27H33N3O3.2C27H35N3O2.C22H31N3O3.C22H34N2O.C21H30N4O4.C20H30N4O2.C18H26N4O2/c31-26(22-17-30(18-22)25(27(32)33)21-7-2-1-3-8-21)29-14-12-19(13-15-29)16-23-11-10-20-6-4-5-9-24(20)28-23;2*1-20(31)26(22-8-3-2-4-9-22)30-18-15-21(16-19-30)25(32)12-6-5-11-24-14-13-23-10-7-17-28-27(23)29-24;1-15(22(27)28)25-13-18(14-25)21(26)24-10-8-16(9-11-24)12-19-7-6-17-4-2-3-5-20(17)23-19;1-18(25)17-24-15-13-19(14-16-24)7-3-2-4-9-21-12-11-20-8-5-6-10-22(20)23-21;1-15(27)13-24-11-12-25(19(14-26)20(24)28)21(29)22-10-4-6-17-9-8-16-5-2-3-7-18(16)23-17;1-15(25)14-24-12-9-18(10-13-24)22-19(26)6-2-5-17-8-7-16-4-3-11-21-20(16)23-17;1-13(23)10-22-11-16(12-22)20-17(24)6-2-5-15-8-7-14-4-3-9-19-18(14)21-15/h1-3,7-8,10-11,19,22,25H,4-6,9,12-18H2,(H,32,33);2*2-4,8-9,13-14,21,26H,5-7,10-12,15-19H2,1H3,(H,28,29);6-7,15-16,18H,2-5,8-14H2,1H3,(H,27,28);11-12,19H,2-10,13-17H2,1H3;8-9,19,26H,2-7,10-14H2,1H3,(H,22,29);7-8,18H,2-6,9-14H2,1H3,(H,21,23)(H,22,26);7-8,16H,2-6,9-12H2,1H3,(H,19,21)(H,20,24)/t;2*26-;;;19-;;/m.10..0../s1.
What are the key properties of (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one?
(2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one has a molecular weight of 3134.22 g/mol, XLogP of 23.32, 58 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-3-oxo-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperazine-1-carboxamide;1-[1-[(1S)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-[(1R)-2-oxo-1-phenylpropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[1-(2-oxopropyl)azetidin-3-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;N-[1-(2-oxopropyl)piperidin-4-yl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propanoic acid;1-[4-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]piperidin-1-yl]propan-2-one is sourced from PubChem (CID 157252835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).