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

C20H27N3O — CID 78809512

IUPAC1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C)CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-15-13-19(20(24)21-18-9-11-22(3)12-10-18)16(2)23(15)14-17-7-5-4-6-8-17/h4-8,13,18H,9-12,14H2,1-3H3,(H,21,24)
InChIKeyVHGMQOLPQVKCQO-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.98
Rot. Bonds4

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

1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide (PubChem CID 78809512) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
PubChem CID78809512
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C)CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-15-13-19(20(24)21-18-9-11-22(3)12-10-18)16(2)23(15)14-17-7-5-4-6-8-17/h4-8,13,18H,9-12,14H2,1-3H3,(H,21,24)
InChIKeyVHGMQOLPQVKCQO-UHFFFAOYSA-N
XLogP2.98
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide
CID 51204188
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
CID 47086922
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864355
1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 55602871
1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55715544
(1-benzyl-2,5-dimethylpyrrol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78804333
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119573875
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575161
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
2,5-dimethyl-N-(4-methylcyclohexyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39907744

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide (CID 78809512) is 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCN(C)CC2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide?
The InChIKey is VHGMQOLPQVKCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-13-19(20(24)21-18-9-11-22(3)12-10-18)16(2)23(15)14-17-7-5-4-6-8-17/h4-8,13,18H,9-12,14H2,1-3H3,(H,21,24).
What are the key properties of 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide?
1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78809512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).