1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C21H27N3O2 — CID 53067354

IUPAC1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCCC(C(=O)NCc3ccccc3C)C2)[nH]1
InChIInChI=1S/C21H27N3O2/c1-14-7-4-5-8-17(14)12-22-20(25)18-9-6-10-24(13-18)21(26)19-15(2)11-16(3)23-19/h4-5,7-8,11,18,23H,6,9-10,12-13H2,1-3H3,(H,22,25)
InChIKeyKILVWCLIQVVIFC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.11
Rot. Bonds4

About 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53067354) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID53067354
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCCC(C(=O)NCc3ccccc3C)C2)[nH]1
InChIInChI=1S/C21H27N3O2/c1-14-7-4-5-8-17(14)12-22-20(25)18-9-6-10-24(13-18)21(26)19-15(2)11-16(3)23-19/h4-5,7-8,11,18,23H,6,9-10,12-13H2,1-3H3,(H,22,25)
InChIKeyKILVWCLIQVVIFC-UHFFFAOYSA-N
XLogP3.11
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95990180
methyl 2,4-dimethyl-5-[(3R)-3-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 97043583
ethyl 2,4-dimethyl-5-[(3S)-3-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 97043499
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 53067329
(3S)-N-[2-[benzyl(methyl)amino]ethyl]-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 97043409
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 53027630
[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803849
5-[(3S)-3-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890732
methyl 5-[3-[(2-chlorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 53067411
(3R)-N-[(2-methylphenyl)methyl]-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 97044170
(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 93076085

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 53067354) is 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1cc(C)c(C(=O)N2CCCC(C(=O)NCc3ccccc3C)C2)[nH]1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KILVWCLIQVVIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-7-4-5-8-17(14)12-22-20(25)18-9-6-10-24(13-18)21(26)19-15(2)11-16(3)23-19/h4-5,7-8,11,18,23H,6,9-10,12-13H2,1-3H3,(H,22,25).
What are the key properties of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53067354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).