1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide

C17H22N4O2 — CID 2951003

IUPAC1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c18-17(23)14-7-10-20(11-8-14)12-16(22)21-15(6-9-19-21)13-4-2-1-3-5-13/h1-5,9,14-15H,6-8,10-12H2,(H2,18,23)
InChIKeyQHYPPQIFEARGQB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.14
Rot. Bonds4

About 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide

1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 2951003) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID2951003
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c18-17(23)14-7-10-20(11-8-14)12-16(22)21-15(6-9-19-21)13-4-2-1-3-5-13/h1-5,9,14-15H,6-8,10-12H2,(H2,18,23)
InChIKeyQHYPPQIFEARGQB-UHFFFAOYSA-N
XLogP1.14
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide (CID 2951003) is 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is QHYPPQIFEARGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-17(23)14-7-10-20(11-8-14)12-16(22)21-15(6-9-19-21)13-4-2-1-3-5-13/h1-5,9,14-15H,6-8,10-12H2,(H2,18,23).
What are the key properties of 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2951003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).