1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

C153H197ClN18O14 — CID 161095130

About 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (PubChem CID 161095130) has the molecular formula C153H197ClN18O14 and a molecular weight of 2547.82 g/mol. Its IUPAC name is 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
• PubChem CID: 161095130
• Molecular Formula: C153H197ClN18O14
• Molecular Weight: 2547.82 g/mol
• Exact Mass: 2545.49
• IUPAC Name: 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
• SMILES: CC(=O)C(c1ccccc1Cl)N1C[C@@H]2C(C(=O)CCCCc3ccc4c(n3)NCCC4)[C@@H]2C1.CC(=O)CN1CCC(C(=O)NCCC(C)c2ccc3c(n2)CCCC3)CC1.CC(=O)[C@@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.O=C(O)[C@@H](c1ccccc1)N1CC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1)N1CC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1
• InChI: InChI=1S/C27H32ClN3O2.2C26H31N3O3.2C26H35N3O2.C22H33N3O2/c1-17(32)26(20-9-3-4-10-23(20)28)31-15-21-22(16-31)25(21)24(33)11-5-2-8-19-13-12-18-7-6-14-29-27(18)30-19;2*30-25(21-16-29(17-21)24(26(31)32)20-7-2-1-3-8-20)28-14-12-19(13-15-28)23-11-10-18-6-4-5-9-22(18)27-23;2*1-20(30)25(21-8-3-2-4-9-21)29-17-14-24(15-18-29)31-19-6-5-11-23-13-12-22-10-7-16-27-26(22)28-23;1-16(20-8-7-18-5-3-4-6-21(18)24-20)9-12-23-22(27)19-10-13-25(14-11-19)15-17(2)26/h3-4,9-10,12-13,21-22,25-26H,2,5-8,11,14-16H2,1H3,(H,29,30);2*1-3,7-8,10-11,19,21,24H,4-6,9,12-17H2,(H,31,32);2*2-4,8-9,12-13,24-25H,5-7,10-11,14-19H2,1H3,(H,27,28);7-8,16,19H,3-6,9-15H2,1-2H3,(H,23,27)/t21-,22+,25?,26?;2*24-;2*25-;/m.1010./s1
• InChIKey: UHRQMYNOBDWHKZ-MBAXSRAVSA-N
• XLogP: 23.75
• TPSA: 381.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 44
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2547.82
LogP ≤ 5	23.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?

The IUPAC name of 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (CID 161095130) is 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.

What is the SMILES notation for 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?

The canonical SMILES for 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is CC(=O)C(c1ccccc1Cl)N1C[C@@H]2C(C(=O)CCCCc3ccc4c(n3)NCCC4)[C@@H]2C1.CC(=O)CN1CCC(C(=O)NCCC(C)c2ccc3c(n2)CCCC3)CC1.CC(=O)[C@@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.O=C(O)[C@@H](c1ccccc1)N1CC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1)N1CC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.

What is the InChIKey of 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?

The InChIKey is UHRQMYNOBDWHKZ-MBAXSRAVSA-N. The full InChI is InChI=1S/C27H32ClN3O2.2C26H31N3O3.2C26H35N3O2.C22H33N3O2/c1-17(32)26(20-9-3-4-10-23(20)28)31-15-21-22(16-31)25(21)24(33)11-5-2-8-19-13-12-18-7-6-14-29-27(18)30-19;2*30-25(21-16-29(17-21)24(26(31)32)20-7-2-1-3-8-20)28-14-12-19(13-15-28)23-11-10-18-6-4-5-9-22(18)27-23;2*1-20(30)25(21-8-3-2-4-9-21)29-17-14-24(15-18-29)31-19-6-5-11-23-13-12-22-10-7-16-27-26(22)28-23;1-16(20-8-7-18-5-3-4-6-21(18)24-20)9-12-23-22(27)19-10-13-25(14-11-19)15-17(2)26/h3-4,9-10,12-13,21-22,25-26H,2,5-8,11,14-16H2,1H3,(H,29,30);2*1-3,7-8,10-11,19,21,24H,4-6,9,12-17H2,(H,31,32);2*2-4,8-9,12-13,24-25H,5-7,10-11,14-19H2,1H3,(H,27,28);7-8,16,19H,3-6,9-15H2,1-2H3,(H,23,27)/t21-,22+,25?,26?;2*24-;2*25-;/m.1010./s1.

What are the key properties of 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?

1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid has a molecular weight of 2547.82 g/mol, XLogP of 23.75, 44 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is sourced from PubChem (CID 161095130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).