1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

C78H101ClN12O10 — CID 158063239

About 1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid

1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (PubChem CID 158063239) has the molecular formula C78H101ClN12O10 and a molecular weight of 1402.19 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
• PubChem CID: 158063239
• Molecular Formula: C78H101ClN12O10
• Molecular Weight: 1402.19 g/mol
• Exact Mass: 1400.75
• IUPAC Name: 1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
• SMILES: CC(=O)C(c1ccc(Cl)cc1)N1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1.COc1cccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)NCCC4)CC2)c1.COc1ccccc1C(C(=O)O)N1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1
• InChI: InChI=1S/C26H33ClN4O2.2C26H34N4O4/c1-18(32)24(19-6-9-22(27)10-7-19)31-16-12-21(13-17-31)26(33)29-15-3-5-23-11-8-20-4-2-14-28-25(20)30-23;1-34-22-8-2-5-20(17-22)23(26(32)33)30-15-11-19(12-16-30)25(31)28-14-4-7-21-10-9-18-6-3-13-27-24(18)29-21;1-34-22-9-3-2-8-21(22)23(26(32)33)30-16-12-19(13-17-30)25(31)28-15-5-7-20-11-10-18-6-4-14-27-24(18)29-20/h6-11,21,24H,2-5,12-17H2,1H3,(H,28,30)(H,29,33);2,5,8-10,17,19,23H,3-4,6-7,11-16H2,1H3,(H,27,29)(H,28,31)(H,32,33);2-3,8-11,19,23H,4-7,12-17H2,1H3,(H,27,29)(H,28,31)(H,32,33)
• InChIKey: FKXHIHITMNZBED-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 281.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1402.19
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid (CID 158063239) is 1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid.

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

The canonical SMILES for 1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is CC(=O)C(c1ccc(Cl)cc1)N1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1.COc1cccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)NCCC4)CC2)c1.COc1ccccc1C(C(=O)O)N1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1.

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

The InChIKey is FKXHIHITMNZBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O2.2C26H34N4O4/c1-18(32)24(19-6-9-22(27)10-7-19)31-16-12-21(13-17-31)26(33)29-15-3-5-23-11-8-20-4-2-14-28-25(20)30-23;1-34-22-8-2-5-20(17-22)23(26(32)33)30-15-11-19(12-16-30)25(31)28-14-4-7-21-10-9-18-6-3-13-27-24(18)29-21;1-34-22-9-3-2-8-21(22)23(26(32)33)30-16-12-19(13-17-30)25(31)28-15-5-7-20-11-10-18-6-4-14-27-24(18)29-20/h6-11,21,24H,2-5,12-17H2,1H3,(H,28,30)(H,29,33);2,5,8-10,17,19,23H,3-4,6-7,11-16H2,1H3,(H,27,29)(H,28,31)(H,32,33);2-3,8-11,19,23H,4-7,12-17H2,1H3,(H,27,29)(H,28,31)(H,32,33).

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

1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid has a molecular weight of 1402.19 g/mol, XLogP of 10.25, 26 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;2-(2-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;2-(3-methoxyphenyl)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 158063239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).