1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide

C27H35ClN2O2 — CID 100666816

About 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide

1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 100666816) has the molecular formula C27H35ClN2O2 and a molecular weight of 455.04 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
• PubChem CID: 100666816
• Molecular Formula: C27H35ClN2O2
• Molecular Weight: 455.04 g/mol
• Exact Mass: 454.24
• IUPAC Name: 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
• SMILES: C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1
• InChI: InChI=1S/C27H35ClN2O2/c1-21-9-4-7-18-30(21)19-8-20-32-23-14-12-22(13-15-23)29-26(31)27(16-5-6-17-27)24-10-2-3-11-25(24)28/h2-3,10-15,21H,4-9,16-20H2,1H3,(H,29,31)/t21-/m1/s1
• InChIKey: GBOBIXZFTZCLCI-OAQYLSRUSA-N
• XLogP: 6.43
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.04
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide (CID 100666816) is 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide is C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1.

What is the InChIKey of 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide?

The InChIKey is GBOBIXZFTZCLCI-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H35ClN2O2/c1-21-9-4-7-18-30(21)19-8-20-32-23-14-12-22(13-15-23)29-26(31)27(16-5-6-17-27)24-10-2-3-11-25(24)28/h2-3,10-15,21H,4-9,16-20H2,1H3,(H,29,31)/t21-/m1/s1.

What are the key properties of 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide?

1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 455.04 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100666816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).