N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide

C33H55N3O4 — CID 67189812

About N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide

N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide (PubChem CID 67189812) has the molecular formula C33H55N3O4 and a molecular weight of 557.82 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
• PubChem CID: 67189812
• Molecular Formula: C33H55N3O4
• Molecular Weight: 557.82 g/mol
• Exact Mass: 557.42
• IUPAC Name: N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
• SMILES: CNCC(CC1CCCCC1)NC(=O)N1CCCC(C(O)(CCCCOC)c2ccccc2OC2CCCC2)C1
• InChI: InChI=1S/C33H55N3O4/c1-34-24-28(23-26-13-4-3-5-14-26)35-32(37)36-21-12-15-27(25-36)33(38,20-10-11-22-39-2)30-18-8-9-19-31(30)40-29-16-6-7-17-29/h8-9,18-19,26-29,34,38H,3-7,10-17,20-25H2,1-2H3,(H,35,37)
• InChIKey: AJTAWAVNOIAFSF-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 83.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.82
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?

The IUPAC name of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide (CID 67189812) is N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide.

What is the SMILES notation for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?

The canonical SMILES for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide is CNCC(CC1CCCCC1)NC(=O)N1CCCC(C(O)(CCCCOC)c2ccccc2OC2CCCC2)C1.

What is the InChIKey of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?

The InChIKey is AJTAWAVNOIAFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55N3O4/c1-34-24-28(23-26-13-4-3-5-14-26)35-32(37)36-21-12-15-27(25-36)33(38,20-10-11-22-39-2)30-18-8-9-19-31(30)40-29-16-6-7-17-29/h8-9,18-19,26-29,34,38H,3-7,10-17,20-25H2,1-2H3,(H,35,37).

What are the key properties of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide?

N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide has a molecular weight of 557.82 g/mol, XLogP of 5.99, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide is sourced from PubChem (CID 67189812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).