1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

C19H24N4O2 — CID 155879216

IUPAC1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H24N4O2/c1-14-10-15(2)12-16(11-14)17(24)22-8-4-6-19(13-22,18(25)20-3)23-9-5-7-21-23/h5,7,9-12H,4,6,8,13H2,1-3H3,(H,20,25)
InChIKeyKOLRGTYERYGRNP-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.88
Rot. Bonds3

About 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (PubChem CID 155879216) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
PubChem CID155879216
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H24N4O2/c1-14-10-15(2)12-16(11-14)17(24)22-8-4-6-19(13-22,18(25)20-3)23-9-5-7-21-23/h5,7,9-12H,4,6,8,13H2,1-3H3,(H,20,25)
InChIKeyKOLRGTYERYGRNP-UHFFFAOYSA-N
XLogP1.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879215
1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879678
1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879681
N-methyl-1-[2-(2-methylphenoxy)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879396
N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 155879673
N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880024
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248
1-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878944
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134169
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880030

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (CID 155879216) is 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is CNC(=O)C1(n2cccn2)CCCN(C(=O)c2cc(C)cc(C)c2)C1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The InChIKey is KOLRGTYERYGRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-10-15(2)12-16(11-14)17(24)22-8-4-6-19(13-22,18(25)20-3)23-9-5-7-21-23/h5,7,9-12H,4,6,8,13H2,1-3H3,(H,20,25).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 155879216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).