N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide

C25H31ClN4O4 — CID 93200267

About N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide (PubChem CID 93200267) has the molecular formula C25H31ClN4O4 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
• PubChem CID: 93200267
• Molecular Formula: C25H31ClN4O4
• Molecular Weight: 487.00 g/mol
• Exact Mass: 486.20
• IUPAC Name: N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
• SMILES: COc1ccc(C(=O)N[C@H](C(=O)NC(C)C)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1
• InChI: InChI=1S/C25H31ClN4O4/c1-16(2)27-24(32)22(29-23(31)18-7-9-21(34-3)10-8-18)17-11-13-30(14-12-17)25(33)28-20-6-4-5-19(26)15-20/h4-10,15-17,22H,11-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,31)/t22-/m0/s1
• InChIKey: ADMVREHXBDHIQN-QFIPXVFZSA-N
• XLogP: 3.92
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.00
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide?

The IUPAC name of N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide (CID 93200267) is N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide?

The canonical SMILES for N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide is COc1ccc(C(=O)N[C@H](C(=O)NC(C)C)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1.

What is the InChIKey of N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide?

The InChIKey is ADMVREHXBDHIQN-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H31ClN4O4/c1-16(2)27-24(32)22(29-23(31)18-7-9-21(34-3)10-8-18)17-11-13-30(14-12-17)25(33)28-20-6-4-5-19(26)15-20/h4-10,15-17,22H,11-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,31)/t22-/m0/s1.

What are the key properties of N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide?

N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 93200267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).