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

C24H31N3O2 — CID 55748195

IUPACN-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide
SMILESCc1ccccc1-n1c(C)cc(C(=O)N2CCCC(C(=O)NCC3CC3)C2)c1C
InChIInChI=1S/C24H31N3O2/c1-16-7-4-5-9-22(16)27-17(2)13-21(18(27)3)24(29)26-12-6-8-20(15-26)23(28)25-14-19-10-11-19/h4-5,7,9,13,19-20H,6,8,10-12,14-15H2,1-3H3,(H,25,28)
InChIKeyARCCCRNNRTYARJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.78
Rot. Bonds5

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

N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide (PubChem CID 55748195) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide
PubChem CID55748195
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide
SMILESCc1ccccc1-n1c(C)cc(C(=O)N2CCCC(C(=O)NCC3CC3)C2)c1C
InChIInChI=1S/C24H31N3O2/c1-16-7-4-5-9-22(16)27-17(2)13-21(18(27)3)24(29)26-12-6-8-20(15-26)23(28)25-14-19-10-11-19/h4-5,7,9,13,19-20H,6,8,10-12,14-15H2,1-3H3,(H,25,28)
InChIKeyARCCCRNNRTYARJ-UHFFFAOYSA-N
XLogP3.78
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-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

[(3R)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methanone
CID 119413144
[(3R)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methanone;hydrochloride
CID 119413143
N-(2-aminoethyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481306
2-[4-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527598
(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
CID 96559322
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53067354
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110883810
(3R)-1-(4-cyclohexylbenzoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 51954362
1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone
CID 53355380
6-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514633
[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 60559316
N-(2-aminoethyl)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119481434

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide (CID 55748195) is N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide is Cc1ccccc1-n1c(C)cc(C(=O)N2CCCC(C(=O)NCC3CC3)C2)c1C.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is ARCCCRNNRTYARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16-7-4-5-9-22(16)27-17(2)13-21(18(27)3)24(29)26-12-6-8-20(15-26)23(28)25-14-19-10-11-19/h4-5,7,9,13,19-20H,6,8,10-12,14-15H2,1-3H3,(H,25,28).
What are the key properties of N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 55748195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).