N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide

C26H33ClN4O4 — CID 93200310

About N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 93200310) has the molecular formula C26H33ClN4O4 and a molecular weight of 501.03 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide
• PubChem CID: 93200310
• Molecular Formula: C26H33ClN4O4
• Molecular Weight: 501.03 g/mol
• Exact Mass: 500.22
• IUPAC Name: N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide
• SMILES: CCN(CC)C(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1
• InChI: InChI=1S/C26H33ClN4O4/c1-4-30(5-2)25(33)23(29-24(32)19-8-6-11-22(16-19)35-3)18-12-14-31(15-13-18)26(34)28-21-10-7-9-20(27)17-21/h6-11,16-18,23H,4-5,12-15H2,1-3H3,(H,28,34)(H,29,32)/t23-/m1/s1
• InChIKey: NENDFXAAHGDCJR-HSZRJFAPSA-N
• XLogP: 4.26
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.03
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide?

The IUPAC name of N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide (CID 93200310) is N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide?

The canonical SMILES for N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide is CCN(CC)C(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1.

What is the InChIKey of N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide?

The InChIKey is NENDFXAAHGDCJR-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H33ClN4O4/c1-4-30(5-2)25(33)23(29-24(32)19-8-6-11-22(16-19)35-3)18-12-14-31(15-13-18)26(34)28-21-10-7-9-20(27)17-21/h6-11,16-18,23H,4-5,12-15H2,1-3H3,(H,28,34)(H,29,32)/t23-/m1/s1.

What are the key properties of N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide?

N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 501.03 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 93200310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).