4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C21H31N3O2 — CID 18129566

IUPAC4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H31N3O2/c1-17(25)23-19-10-8-18(9-11-19)20(26)22-16-21(12-4-2-5-13-21)24-14-6-3-7-15-24/h8-11H,2-7,12-16H2,1H3,(H,22,26)(H,23,25)
InChIKeyAZPQJTGPCAMOES-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.56
Rot. Bonds5

About 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 18129566) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID18129566
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H31N3O2/c1-17(25)23-19-10-8-18(9-11-19)20(26)22-16-21(12-4-2-5-13-21)24-14-6-3-7-15-24/h8-11H,2-7,12-16H2,1H3,(H,22,26)(H,23,25)
InChIKeyAZPQJTGPCAMOES-UHFFFAOYSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 18129566) is 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is CC(=O)Nc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is AZPQJTGPCAMOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-17(25)23-19-10-8-18(9-11-19)20(26)22-16-21(12-4-2-5-13-21)24-14-6-3-7-15-24/h8-11H,2-7,12-16H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 357.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 18129566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).