1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide

C29H40N2O3 — CID 133187938

About 1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide

1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide (PubChem CID 133187938) has the molecular formula C29H40N2O3 and a molecular weight of 464.65 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
• PubChem CID: 133187938
• Molecular Formula: C29H40N2O3
• Molecular Weight: 464.65 g/mol
• Exact Mass: 464.30
• IUPAC Name: 1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCCC4C)cc3)CCCCC2)cc1
• InChI: InChI=1S/C29H40N2O3/c1-23-9-4-7-20-31(23)21-8-22-34-27-16-12-25(13-17-27)30-28(32)29(18-5-3-6-19-29)24-10-14-26(33-2)15-11-24/h10-17,23H,3-9,18-22H2,1-2H3,(H,30,32)
• InChIKey: BBIQMBPEKNIBNZ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.65
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide (CID 133187938) is 1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide.

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

The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCCC4C)cc3)CCCCC2)cc1.

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

The InChIKey is BBIQMBPEKNIBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O3/c1-23-9-4-7-20-31(23)21-8-22-34-27-16-12-25(13-17-27)30-28(32)29(18-5-3-6-19-29)24-10-14-26(33-2)15-11-24/h10-17,23H,3-9,18-22H2,1-2H3,(H,30,32).

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

1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 133187938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).