1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

C81H104ClN9O10 — CID 159298012

About 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (PubChem CID 159298012) has the molecular formula C81H104ClN9O10 and a molecular weight of 1399.23 g/mol. Its IUPAC name is 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
• PubChem CID: 159298012
• Molecular Formula: C81H104ClN9O10
• Molecular Weight: 1399.23 g/mol
• Exact Mass: 1397.76
• IUPAC Name: 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
• SMILES: CC(=O)C(c1ccc(Cl)cc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.COc1cccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)c1.COc1ccccc1C(C(=O)O)N1CCC(C(=O)NCCCc2ccc3c(n2)CCCC3)CC1
• InChI: InChI=1S/C27H34ClN3O2.2C27H35N3O4/c1-19(32)26(21-8-11-23(28)12-9-21)31-17-14-20(15-18-31)25(33)7-3-2-6-24-13-10-22-5-4-16-29-27(22)30-24;1-34-24-11-5-3-9-22(24)25(27(32)33)30-17-14-20(15-18-30)26(31)28-16-6-8-21-13-12-19-7-2-4-10-23(19)29-21;1-34-23-9-4-7-21(18-23)25(27(32)33)30-16-13-20(14-17-30)26(31)28-15-5-8-22-12-11-19-6-2-3-10-24(19)29-22/h8-13,20,26H,2-7,14-18H2,1H3,(H,29,30);3,5,9,11-13,20,25H,2,4,6-8,10,14-18H2,1H3,(H,28,31)(H,32,33);4,7,9,11-12,18,20,25H,2-3,5-6,8,10,13-17H2,1H3,(H,28,31)(H,32,33)
• InChIKey: LAYYPOAKVDFEST-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 245.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.23
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?

The IUPAC name of 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (CID 159298012) is 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.

What is the SMILES notation for 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?

The canonical SMILES for 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is CC(=O)C(c1ccc(Cl)cc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.COc1cccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)c1.COc1ccccc1C(C(=O)O)N1CCC(C(=O)NCCCc2ccc3c(n2)CCCC3)CC1.

What is the InChIKey of 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?

The InChIKey is LAYYPOAKVDFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O2.2C27H35N3O4/c1-19(32)26(21-8-11-23(28)12-9-21)31-17-14-20(15-18-31)25(33)7-3-2-6-24-13-10-22-5-4-16-29-27(22)30-24;1-34-24-11-5-3-9-22(24)25(27(32)33)30-17-14-20(15-18-30)26(31)28-16-6-8-21-13-12-19-7-2-4-10-23(19)29-21;1-34-23-9-4-7-21(18-23)25(27(32)33)30-16-13-20(14-17-30)26(31)28-15-5-8-22-12-11-19-6-2-3-10-24(19)29-22/h8-13,20,26H,2-7,14-18H2,1H3,(H,29,30);3,5,9,11-13,20,25H,2,4,6-8,10,14-18H2,1H3,(H,28,31)(H,32,33);4,7,9,11-12,18,20,25H,2-3,5-6,8,10,13-17H2,1H3,(H,28,31)(H,32,33).

What are the key properties of 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid?

1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid has a molecular weight of 1399.23 g/mol, XLogP of 12.53, 27 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(4-chlorophenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 159298012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).