N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

C22H26ClN3O2 — CID 16910194

IUPACN-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C22H26ClN3O2/c1-15-3-8-20(16(2)13-15)25-21(27)14-26-11-9-17(10-12-26)22(28)24-19-6-4-18(23)5-7-19/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYWXFUZCDIJFSFD-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.25
Rot. Bonds5

About N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16910194) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16910194
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C22H26ClN3O2/c1-15-3-8-20(16(2)13-15)25-21(27)14-26-11-9-17(10-12-26)22(28)24-19-6-4-18(23)5-7-19/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYWXFUZCDIJFSFD-UHFFFAOYSA-N
XLogP4.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
N-(1,3-benzodioxol-5-yl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995661
butyl 4-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carbonyl]amino]benzoate
CID 16910206
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16812702
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16910200
N-[(2,6-difluorophenyl)methyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16812707
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16910175

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16910194) is N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is YWXFUZCDIJFSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15-3-8-20(16(2)13-15)25-21(27)14-26-11-9-17(10-12-26)22(28)24-19-6-4-18(23)5-7-19/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16910194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).