2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide

C18H22N4O2 — CID 39510641

IUPAC2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C18H22N4O2/c1-13-5-3-4-6-16(13)17(23)20-15-7-9-22(10-8-15)18(24)14-11-19-21(2)12-14/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,23)
InChIKeyHQBCJQXFDALTPQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide

2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide (PubChem CID 39510641) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
PubChem CID39510641
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C18H22N4O2/c1-13-5-3-4-6-16(13)17(23)20-15-7-9-22(10-8-15)18(24)14-11-19-21(2)12-14/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,23)
InChIKeyHQBCJQXFDALTPQ-UHFFFAOYSA-N
XLogP1.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511123
2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 55790830
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
CID 136577969
N-[1-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511388
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide (CID 39510641) is 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is HQBCJQXFDALTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-5-3-4-6-16(13)17(23)20-15-7-9-22(10-8-15)18(24)14-11-19-21(2)12-14/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 39510641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).