1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

C23H29N5O3 — CID 175656343

IUPAC1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCCn1ccc(C(=O)N2CCCC(C)(C(=O)Nc3cccc(N4CCCC4=O)c3)C2)n1
InChIInChI=1S/C23H29N5O3/c1-3-27-14-10-19(25-27)21(30)26-12-6-11-23(2,16-26)22(31)24-17-7-4-8-18(15-17)28-13-5-9-20(28)29/h4,7-8,10,14-15H,3,5-6,9,11-13,16H2,1-2H3,(H,24,31)
InChIKeyAIZLQSFXJHXBIB-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.91
Rot. Bonds5

About 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 175656343) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID175656343
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCCn1ccc(C(=O)N2CCCC(C)(C(=O)Nc3cccc(N4CCCC4=O)c3)C2)n1
InChIInChI=1S/C23H29N5O3/c1-3-27-14-10-19(25-27)21(30)26-12-6-11-23(2,16-26)22(31)24-17-7-4-8-18(15-17)28-13-5-9-20(28)29/h4,7-8,10,14-15H,3,5-6,9,11-13,16H2,1-2H3,(H,24,31)
InChIKeyAIZLQSFXJHXBIB-UHFFFAOYSA-N
XLogP2.91
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]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

3-methyl-1-[2-(4-methyltriazol-1-yl)acetyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 110085676
N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
CID 175656680
3-methyl-1-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074906
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120919820
N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 110085749
(2R)-2-ethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 124625433
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290019
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide
CID 51956267
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 38713115

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (CID 175656343) is 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is CCn1ccc(C(=O)N2CCCC(C)(C(=O)Nc3cccc(N4CCCC4=O)c3)C2)n1.
What is the InChIKey of 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is AIZLQSFXJHXBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-3-27-14-10-19(25-27)21(30)26-12-6-11-23(2,16-26)22(31)24-17-7-4-8-18(15-17)28-13-5-9-20(28)29/h4,7-8,10,14-15H,3,5-6,9,11-13,16H2,1-2H3,(H,24,31).
What are the key properties of 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 175656343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).