2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide

C22H27N3O2 — CID 22831106

IUPAC2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C22H27N3O2/c1-17-9-3-4-10-18(17)22(27)23-14-13-21(26)24-19-11-5-6-12-20(19)25-15-7-2-8-16-25/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyUDHRJBVIHXLLPK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.74
Rot. Bonds6

About 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide

2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide (PubChem CID 22831106) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
PubChem CID22831106
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C22H27N3O2/c1-17-9-3-4-10-18(17)22(27)23-14-13-21(26)24-19-11-5-6-12-20(19)25-15-7-2-8-16-25/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyUDHRJBVIHXLLPK-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 24660504
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 38165800
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 30495619
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate
CID 60620853
N-[4-[2-(azepan-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 24660506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide (CID 22831106) is 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
The InChIKey is UDHRJBVIHXLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-9-3-4-10-18(17)22(27)23-14-13-21(26)24-19-11-5-6-12-20(19)25-15-7-2-8-16-25/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide is sourced from PubChem (CID 22831106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).