2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride

C20H28ClN3O — CID 119554950

IUPAC2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCC2CCCNC2)c(C)n1-c1ccccc1.Cl
InChIInChI=1S/C20H27N3O.ClH/c1-15-13-19(16(2)23(15)18-8-4-3-5-9-18)20(24)22-12-10-17-7-6-11-21-14-17;/h3-5,8-9,13,17,21H,6-7,10-12,14H2,1-2H3,(H,22,24);1H
InChIKeyTVYVKNLBEQOWSR-UHFFFAOYSA-N
MW361.92 g/mol
LogP3.64
Rot. Bonds5

About 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride

2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride (PubChem CID 119554950) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
PubChem CID119554950
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC Name2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCC2CCCNC2)c(C)n1-c1ccccc1.Cl
InChIInChI=1S/C20H27N3O.ClH/c1-15-13-19(16(2)23(15)18-8-4-3-5-9-18)20(24)22-12-10-17-7-6-11-21-14-17;/h3-5,8-9,13,17,21H,6-7,10-12,14H2,1-2H3,(H,22,24);1H
InChIKeyTVYVKNLBEQOWSR-UHFFFAOYSA-N
XLogP3.64
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 53.64
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

2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119556387
2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119557511
2-(2-phenylethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119557940
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119536671
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102
5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556879
2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119558694
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride (CID 119554950) is 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCCC2CCCNC2)c(C)n1-c1ccccc1.Cl.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride?
The InChIKey is TVYVKNLBEQOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.ClH/c1-15-13-19(16(2)23(15)18-8-4-3-5-9-18)20(24)22-12-10-17-7-6-11-21-14-17;/h3-5,8-9,13,17,21H,6-7,10-12,14H2,1-2H3,(H,22,24);1H.
What are the key properties of 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride?
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride has a molecular weight of 361.92 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119554950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).