N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide

C30H40N4O3 — CID 1064562

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide (PubChem CID 1064562) has the molecular formula C30H40N4O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
• PubChem CID: 1064562
• Molecular Formula: C30H40N4O3
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.31
• IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCCC3)cc2C(=O)N2CCCCC2)CC1
• InChI: InChI=1S/C30H40N4O3/c1-37-28-13-7-6-12-27(28)33-20-18-32(19-21-33)26-15-14-24(31-29(35)23-10-4-2-5-11-23)22-25(26)30(36)34-16-8-3-9-17-34/h6-7,12-15,22-23H,2-5,8-11,16-21H2,1H3,(H,31,35)
• InChIKey: FHXKUOQZAJDPFV-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide?

The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide (CID 1064562) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide?

The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide is COc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCCC3)cc2C(=O)N2CCCCC2)CC1.

What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide?

The InChIKey is FHXKUOQZAJDPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O3/c1-37-28-13-7-6-12-27(28)33-20-18-32(19-21-33)26-15-14-24(31-29(35)23-10-4-2-5-11-23)22-25(26)30(36)34-16-8-3-9-17-34/h6-7,12-15,22-23H,2-5,8-11,16-21H2,1H3,(H,31,35).

What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide?

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide has a molecular weight of 504.68 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 1064562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).