2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide

C22H26ClN3O2 — CID 46038281

IUPAC2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H26ClN3O2/c1-3-25(2)22(28)18-9-5-7-11-20(18)26-14-12-16(13-15-26)24-21(27)17-8-4-6-10-19(17)23/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyZSEOOZVFASKIBW-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.83
Rot. Bonds5

About 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide

2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide (PubChem CID 46038281) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
PubChem CID46038281
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H26ClN3O2/c1-3-25(2)22(28)18-9-5-7-11-20(18)26-14-12-16(13-15-26)24-21(27)17-8-4-6-10-19(17)23/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyZSEOOZVFASKIBW-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide 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-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038653
N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide
CID 42848423
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
CID 93291101
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037896
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
CID 46038514
2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 42848150
N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316
2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide?
The IUPAC name of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide (CID 46038281) is 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide.
What is the SMILES notation for 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide?
The canonical SMILES for 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide is CCN(C)C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide?
The InChIKey is ZSEOOZVFASKIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-3-25(2)22(28)18-9-5-7-11-20(18)26-14-12-16(13-15-26)24-21(27)17-8-4-6-10-19(17)23/h4-11,16H,3,12-15H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide?
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide has a molecular weight of 399.92 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide is sourced from PubChem (CID 46038281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).