1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide

C20H28N4O2 — CID 24580172

IUPAC1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C20H28N4O2/c1-15-11-16(2)13-18(12-15)24(8-4-7-21)19(25)14-23-9-5-17(6-10-23)20(26)22-3/h11-13,17H,4-6,8-10,14H2,1-3H3,(H,22,26)
InChIKeyWCQNIBYGYVTSRE-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.01
Rot. Bonds6

About 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide

1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 24580172) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
PubChem CID24580172
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C20H28N4O2/c1-15-11-16(2)13-18(12-15)24(8-4-7-21)19(25)14-23-9-5-17(6-10-23)20(26)22-3/h11-13,17H,4-6,8-10,14H2,1-3H3,(H,22,26)
InChIKeyWCQNIBYGYVTSRE-UHFFFAOYSA-N
XLogP2.01
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 55432605
N-(2-cyanoethyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 51173567
1-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl]-N-ethylpiperidine-4-carboxamide
CID 86928234
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 55409358
2-bromo-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 63679867
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 55915777
2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 2393435
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
2-(azepan-1-yl)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide
CID 78828219
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 24613826
1-(cyanomethyl)-N-methylpyrrolidine-3-carboxamide
CID 131219478

Frequently Asked Questions

What is the IUPAC name of 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide (CID 24580172) is 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is WCQNIBYGYVTSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-11-16(2)13-18(12-15)24(8-4-7-21)19(25)14-23-9-5-17(6-10-23)20(26)22-3/h11-13,17H,4-6,8-10,14H2,1-3H3,(H,22,26).
What are the key properties of 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24580172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).