3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide

C24H35N3O3 — CID 93198790

About 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide

3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide (PubChem CID 93198790) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
• PubChem CID: 93198790
• Molecular Formula: C24H35N3O3
• Molecular Weight: 413.56 g/mol
• Exact Mass: 413.27
• IUPAC Name: 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
• SMILES: Cc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)C(C)C)CC2)c1
• InChI: InChI=1S/C24H35N3O3/c1-17(2)23(29)27-14-10-19(11-15-27)21(24(30)26-12-5-4-6-13-26)25-22(28)20-9-7-8-18(3)16-20/h7-9,16-17,19,21H,4-6,10-15H2,1-3H3,(H,25,28)/t21-/m0/s1
• InChIKey: DHNFPONOPFGZDI-NRFANRHFSA-N
• XLogP: 3.00
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.56
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?

The IUPAC name of 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide (CID 93198790) is 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide.

What is the SMILES notation for 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?

The canonical SMILES for 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide is Cc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)C(C)C)CC2)c1.

What is the InChIKey of 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?

The InChIKey is DHNFPONOPFGZDI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-17(2)23(29)27-14-10-19(11-15-27)21(24(30)26-12-5-4-6-13-26)25-22(28)20-9-7-8-18(3)16-20/h7-9,16-17,19,21H,4-6,10-15H2,1-3H3,(H,25,28)/t21-/m0/s1.

What are the key properties of 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?

3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide has a molecular weight of 413.56 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 93198790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).