1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide

C17H28N4O2 — CID 30186298

IUPAC1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H28N4O2/c1-12(2)21-14(6-9-18-21)19-15(22)13-7-10-20(11-8-13)16(23)17(3,4)5/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,19,22)
InChIKeyWZYFMPNEEPHIBJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.69
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 30186298) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
PubChem CID30186298
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H28N4O2/c1-12(2)21-14(6-9-18-21)19-15(22)13-7-10-20(11-8-13)16(23)17(3,4)5/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,19,22)
InChIKeyWZYFMPNEEPHIBJ-UHFFFAOYSA-N
XLogP2.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)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-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide (CID 30186298) is 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide is CC(C)n1nccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is WZYFMPNEEPHIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)21-14(6-9-18-21)19-15(22)13-7-10-20(11-8-13)16(23)17(3,4)5/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,19,22).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30186298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).