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

C25H38N4O3 — CID 93200092

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

4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 93200092) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
• PubChem CID: 93200092
• Molecular Formula: C25H38N4O3
• Molecular Weight: 442.60 g/mol
• Exact Mass: 442.29
• IUPAC Name: 4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
• SMILES: Cc1ccc(C(=O)N[C@H](C(=O)N2CCCC[C@H]2C)C2CCN(C(=O)NC(C)C)CC2)cc1
• InChI: InChI=1S/C25H38N4O3/c1-17(2)26-25(32)28-15-12-20(13-16-28)22(24(31)29-14-6-5-7-19(29)4)27-23(30)21-10-8-18(3)9-11-21/h8-11,17,19-20,22H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)/t19-,22+/m1/s1
• InChIKey: HWNCZBNXYDMQTO-KNQAVFIVSA-N
• XLogP: 3.32
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.60
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 93200092) is 4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

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

The canonical SMILES for 4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is Cc1ccc(C(=O)N[C@H](C(=O)N2CCCC[C@H]2C)C2CCN(C(=O)NC(C)C)CC2)cc1.

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

The InChIKey is HWNCZBNXYDMQTO-KNQAVFIVSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-17(2)26-25(32)28-15-12-20(13-16-28)22(24(31)29-14-6-5-7-19(29)4)27-23(30)21-10-8-18(3)9-11-21/h8-11,17,19-20,22H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)/t19-,22+/m1/s1.

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

4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 93200092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).