N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C18H24N4O — CID 90495360

IUPACN-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1C
InChIInChI=1S/C18H24N4O/c1-14-4-5-17(12-15(14)2)20-18(23)21-10-6-16(7-11-21)13-22-9-3-8-19-22/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3,(H,20,23)
InChIKeyYDEDTNWZFUAAEV-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.44
Rot. Bonds3

About N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 90495360) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID90495360
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1C
InChIInChI=1S/C18H24N4O/c1-14-4-5-17(12-15(14)2)20-18(23)21-10-6-16(7-11-21)13-22-9-3-8-19-22/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3,(H,20,23)
InChIKeyYDEDTNWZFUAAEV-UHFFFAOYSA-N
XLogP3.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-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

4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90495359
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126773389
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118781188
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 90495360) is N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is YDEDTNWZFUAAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-4-5-17(12-15(14)2)20-18(23)21-10-6-16(7-11-21)13-22-9-3-8-19-22/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90495360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).