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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid

C153H202N20O14 — CID 157345168

About 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid

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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid (PubChem CID 157345168) has the molecular formula C153H202N20O14 and a molecular weight of 2545.42 g/mol. Its IUPAC name is 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
• PubChem CID: 157345168
• Molecular Formula: C153H202N20O14
• Molecular Weight: 2545.42 g/mol
• Exact Mass: 2543.57
• IUPAC Name: 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
• SMILES: 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)[C@@H](c1ccccc1)N1CCC(N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1
• InChI: InChI=1S/C28H37N3O2.2C26H36N4O.2C25H31N3O3.C23H31N3O4/c32-28(33)27(23-7-2-1-3-8-23)31-18-14-25(15-19-31)30-16-12-21(13-17-30)20-24-11-10-22-6-4-5-9-26(22)29-24;2*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/h1-3,7-8,10-11,21,25,27H,4-6,9,12-20H2,(H,32,33);2*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)/t27-;2*25-;20-,23+;20-,23-;/m11011./s1
• InChIKey: BGWJZAHRHLKWDT-BZJSSQSPSA-N
• XLogP: 21.08
• TPSA: 409.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 45
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2545.42
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?

The IUPAC name of 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid (CID 157345168) is 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid.

What is the SMILES notation for 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?

The canonical SMILES for 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid is 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)[C@@H](c1ccccc1)N1CCC(N2CCC(Cc3ccc4c(n3)CCCC4)CC2)CC1.

What is the InChIKey of 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?

The InChIKey is BGWJZAHRHLKWDT-BZJSSQSPSA-N. The full InChI is InChI=1S/C28H37N3O2.2C26H36N4O.2C25H31N3O3.C23H31N3O4/c32-28(33)27(23-7-2-1-3-8-23)31-18-14-25(15-19-31)30-16-12-21(13-17-30)20-24-11-10-22-6-4-5-9-26(22)29-24;2*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/h1-3,7-8,10-11,21,25,27H,4-6,9,12-20H2,(H,32,33);2*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)/t27-;2*25-;20-,23+;20-,23-;/m11011./s1.

What are the key properties of 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?

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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 2545.42 g/mol, XLogP of 21.08, 45 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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;(2R)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 157345168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).