1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide

C21H27N3O2 — CID 154758120

IUPAC1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccn(C)c2C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-7-9-18(10-8-16)24(15-20(25)23-12-5-4-6-13-23)21(26)19-11-14-22(3)17(19)2/h7-11,14H,4-6,12-13,15H2,1-3H3
InChIKeyAEXDFCAOUMMMFN-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.30
Rot. Bonds4

About 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide

1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 154758120) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID154758120
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccn(C)c2C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-7-9-18(10-8-16)24(15-20(25)23-12-5-4-6-13-23)21(26)19-11-14-22(3)17(19)2/h7-11,14H,4-6,12-13,15H2,1-3H3
InChIKeyAEXDFCAOUMMMFN-UHFFFAOYSA-N
XLogP3.30
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86934267
3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86934196
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide
CID 86934156
1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 86934297
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 86934182
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 86934220
N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 86934310
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 86934263

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide (CID 154758120) is 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccn(C)c2C)cc1.
What is the InChIKey of 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is AEXDFCAOUMMMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-7-9-18(10-8-16)24(15-20(25)23-12-5-4-6-13-23)21(26)19-11-14-22(3)17(19)2/h7-11,14H,4-6,12-13,15H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 154758120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).