1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C20H24N4O2 — CID 24790233

IUPAC1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C20H24N4O2/c1-22(12-15-11-21-24(13-15)18-5-3-2-4-6-18)20(26)16-7-10-19(25)23(14-16)17-8-9-17/h2-6,11,13,16-17H,7-10,12,14H2,1H3
InChIKeyKQAOZGOXRIKXOD-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.23
Rot. Bonds5

About 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24790233) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24790233
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C20H24N4O2/c1-22(12-15-11-21-24(13-15)18-5-3-2-4-6-18)20(26)16-7-10-19(25)23(14-16)17-8-9-17/h2-6,11,13,16-17H,7-10,12,14H2,1H3
InChIKeyKQAOZGOXRIKXOD-UHFFFAOYSA-N
XLogP2.23
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24790233) is 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is KQAOZGOXRIKXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-22(12-15-11-21-24(13-15)18-5-3-2-4-6-18)20(26)16-7-10-19(25)23(14-16)17-8-9-17/h2-6,11,13,16-17H,7-10,12,14H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).