1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide

C26H33ClN2O — CID 133191601

About 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 133191601) has the molecular formula C26H33ClN2O and a molecular weight of 425.02 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
• PubChem CID: 133191601
• Molecular Formula: C26H33ClN2O
• Molecular Weight: 425.02 g/mol
• Exact Mass: 424.23
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
• SMILES: CCC(NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C26H33ClN2O/c1-2-25(23-10-9-20-5-3-4-6-22(20)17-23)28-26(30)21-13-15-29(16-14-21)18-19-7-11-24(27)12-8-19/h7-12,17,21,25H,2-6,13-16,18H2,1H3,(H,28,30)
• InChIKey: BRTDOMGMCKWXFB-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.02
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide?

The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide (CID 133191601) is 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide?

The InChIKey is BRTDOMGMCKWXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O/c1-2-25(23-10-9-20-5-3-4-6-22(20)17-23)28-26(30)21-13-15-29(16-14-21)18-19-7-11-24(27)12-8-19/h7-12,17,21,25H,2-6,13-16,18H2,1H3,(H,28,30).

What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide?

1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 425.02 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 133191601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).