2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide

C19H25N3O — CID 119459788

IUPAC2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCNC2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H25N3O/c1-14-11-18(15(2)22(14)17-8-4-3-5-9-17)19(23)21-13-16-7-6-10-20-12-16/h3-5,8-9,11,16,20H,6-7,10,12-13H2,1-2H3,(H,21,23)
InChIKeyMZEQKSAOSNDSAD-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.82
Rot. Bonds4

About 2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide

2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide (PubChem CID 119459788) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
PubChem CID119459788
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCNC2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H25N3O/c1-14-11-18(15(2)22(14)17-8-4-3-5-9-17)19(23)21-13-16-7-6-10-20-12-16/h3-5,8-9,11,16,20H,6-7,10,12-13H2,1-2H3,(H,21,23)
InChIKeyMZEQKSAOSNDSAD-UHFFFAOYSA-N
XLogP2.82
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.82
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-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
CID 119461980
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 94006282
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide (CID 119459788) is 2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CCCNC2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is MZEQKSAOSNDSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-11-18(15(2)22(14)17-8-4-3-5-9-17)19(23)21-13-16-7-6-10-20-12-16/h3-5,8-9,11,16,20H,6-7,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide?
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.82, 4 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-(piperidin-3-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 119459788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).