1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide

C19H24ClN3O — CID 120602268

IUPAC1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCNC(C)C2)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c1-12-10-16(8-9-21-12)22-19(24)18-11-13(2)23(14(18)3)17-6-4-15(20)5-7-17/h4-7,11-12,16,21H,8-10H2,1-3H3,(H,22,24)
InChIKeyQIODHIMCYHQGCT-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.62
Rot. Bonds3

About 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide

1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide (PubChem CID 120602268) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide
PubChem CID120602268
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCNC(C)C2)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c1-12-10-16(8-9-21-12)22-19(24)18-11-13(2)23(14(18)3)17-6-4-15(20)5-7-17/h4-7,11-12,16,21H,8-10H2,1-3H3,(H,22,24)
InChIKeyQIODHIMCYHQGCT-UHFFFAOYSA-N
XLogP3.62
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119474321
2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120600445
1-(4-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119453825
1-(4-chlorophenyl)-2,5-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyrrole-3-carboxamide
CID 52711859
1-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 120598467
5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120600434
2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
CID 106995122
N-(2-amino-1-cyclopropylethyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119612673
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide (CID 120602268) is 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCNC(C)C2)c(C)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide?
The InChIKey is QIODHIMCYHQGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-12-10-16(8-9-21-12)22-19(24)18-11-13(2)23(14(18)3)17-6-4-15(20)5-7-17/h4-7,11-12,16,21H,8-10H2,1-3H3,(H,22,24).
What are the key properties of 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide?
1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide has a molecular weight of 345.87 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 120602268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).