N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide

C21H30N4O — CID 15067958

IUPACN-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1C(C)CN(CCn2cccn2)CC1C
InChIInChI=1S/C21H30N4O/c1-4-20(26)25(19-9-6-5-7-10-19)21-17(2)15-23(16-18(21)3)13-14-24-12-8-11-22-24/h5-12,17-18,21H,4,13-16H2,1-3H3
InChIKeyGPOAQNUHDDWPJR-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.28
Rot. Bonds6

About N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 15067958) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID15067958
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1C(C)CN(CCn2cccn2)CC1C
InChIInChI=1S/C21H30N4O/c1-4-20(26)25(19-9-6-5-7-10-19)21-17(2)15-23(16-18(21)3)13-14-24-12-8-11-22-24/h5-12,17-18,21H,4,13-16H2,1-3H3
InChIKeyGPOAQNUHDDWPJR-UHFFFAOYSA-N
XLogP3.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide 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 N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 15067958) is N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1C(C)CN(CCn2cccn2)CC1C.
What is the InChIKey of N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is GPOAQNUHDDWPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-20(26)25(19-9-6-5-7-10-19)21-17(2)15-23(16-18(21)3)13-14-24-12-8-11-22-24/h5-12,17-18,21H,4,13-16H2,1-3H3.
What are the key properties of N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 354.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 15067958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).