1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide

C23H33N3O — CID 55715544

IUPAC1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CC(C)CC(C)C2)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H33N3O/c1-17-12-18(2)15-25(14-17)11-10-24-23(27)22-13-19(3)26(20(22)4)16-21-8-6-5-7-9-21/h5-9,13,17-18H,10-12,14-16H2,1-4H3,(H,24,27)
InChIKeyGATFSPMIYSTFLZ-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.86
Rot. Bonds6

About 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide

1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55715544) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55715544
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CC(C)CC(C)C2)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H33N3O/c1-17-12-18(2)15-25(14-17)11-10-24-23(27)22-13-19(3)26(20(22)4)16-21-8-6-5-7-9-21/h5-9,13,17-18H,10-12,14-16H2,1-4H3,(H,24,27)
InChIKeyGATFSPMIYSTFLZ-UHFFFAOYSA-N
XLogP3.86
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 55602871
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
CID 51952341
1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 78809512
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
CID 47086922
4-chloro-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-fluorobenzamide
CID 51947867
2-(3,5-dimethylpiperidin-1-yl)-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 18268413
1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
CID 55451237
2-bromo-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-fluorobenzamide
CID 51947889
1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 86979094
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119641511

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide (CID 55715544) is 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCN2CC(C)CC(C)C2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is GATFSPMIYSTFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17-12-18(2)15-25(14-17)11-10-24-23(27)22-13-19(3)26(20(22)4)16-21-8-6-5-7-9-21/h5-9,13,17-18H,10-12,14-16H2,1-4H3,(H,24,27).
What are the key properties of 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide?
1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55715544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).