4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

C24H36N4O3 — CID 93200031

About 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 93200031) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
• PubChem CID: 93200031
• Molecular Formula: C24H36N4O3
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.28
• IUPAC Name: 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
• SMILES: CC(C)NC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N2CCCC[C@@H]2C)CC1
• InChI: InChI=1S/C24H36N4O3/c1-17(2)25-24(31)27-15-12-19(13-16-27)21(23(30)28-14-8-7-9-18(28)3)26-22(29)20-10-5-4-6-11-20/h4-6,10-11,17-19,21H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)/t18-,21+/m0/s1
• InChIKey: JZDHBKJLBHAUSJ-GHTZIAJQSA-N
• XLogP: 3.02
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?

The IUPAC name of 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 93200031) is 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?

The canonical SMILES for 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N2CCCC[C@@H]2C)CC1.

What is the InChIKey of 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?

The InChIKey is JZDHBKJLBHAUSJ-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-17(2)25-24(31)27-15-12-19(13-16-27)21(23(30)28-14-8-7-9-18(28)3)26-22(29)20-10-5-4-6-11-20/h4-6,10-11,17-19,21H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)/t18-,21+/m0/s1.

What are the key properties of 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?

4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 93200031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).