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

C22H31N3O — CID 51204188

IUPAC1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(C)C)CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C22H31N3O/c1-16(2)24-12-10-20(11-13-24)23-22(26)21-14-17(3)25(18(21)4)15-19-8-6-5-7-9-19/h5-9,14,16,20H,10-13,15H2,1-4H3,(H,23,26)
InChIKeyMUYIEMVBJSUXQC-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.76
Rot. Bonds5

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

1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide (PubChem CID 51204188) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide
PubChem CID51204188
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(C)C)CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C22H31N3O/c1-16(2)24-12-10-20(11-13-24)23-22(26)21-14-17(3)25(18(21)4)15-19-8-6-5-7-9-19/h5-9,14,16,20H,10-13,15H2,1-4H3,(H,23,26)
InChIKeyMUYIEMVBJSUXQC-UHFFFAOYSA-N
XLogP3.76
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 78809512
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119573875
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864355
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanediamide
CID 56807575
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119594525
1-[(3,5-dichlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801035
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575161
N-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 35558175
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119607026
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55962947

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide (CID 51204188) is 1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(C)C)CC2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide?
The InChIKey is MUYIEMVBJSUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-16(2)24-12-10-20(11-13-24)23-22(26)21-14-17(3)25(18(21)4)15-19-8-6-5-7-9-19/h5-9,14,16,20H,10-13,15H2,1-4H3,(H,23,26).
What are the key properties of 1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide?
1-benzyl-2,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 3.76, 5 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-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 51204188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).