N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide

C22H24ClN3O3 — CID 46822995

IUPACN-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24ClN3O3/c1-25(15-20(27)24-19-5-3-2-4-6-19)21(28)17-11-13-26(14-12-17)22(29)16-7-9-18(23)10-8-16/h2-10,17H,11-15H2,1H3,(H,24,27)
InChIKeyWBSDQAKFJJFDBI-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.29
Rot. Bonds5

About N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide

N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 46822995) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID46822995
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24ClN3O3/c1-25(15-20(27)24-19-5-3-2-4-6-19)21(28)17-11-13-26(14-12-17)22(29)16-7-9-18(23)10-8-16/h2-10,17H,11-15H2,1H3,(H,24,27)
InChIKeyWBSDQAKFJJFDBI-UHFFFAOYSA-N
XLogP3.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide 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

N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
2,2,2-trifluoroethyl 4-[[2-(4-chloroanilino)-2-oxoethyl]-methylcarbamoyl]piperidine-1-carboxylate
CID 18132716
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719168
4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9438322
N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide
CID 46634722
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18112338
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 25163200
1-benzoyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 136528098
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 38008538

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide (CID 46822995) is N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is WBSDQAKFJJFDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-25(15-20(27)24-19-5-3-2-4-6-19)21(28)17-11-13-26(14-12-17)22(29)16-7-9-18(23)10-8-16/h2-10,17H,11-15H2,1H3,(H,24,27).
What are the key properties of N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide?
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46822995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).