2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide

C18H22N4O2 — CID 136577969

IUPAC2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n[nH]1
InChIInChI=1S/C18H22N4O2/c1-12-5-3-4-6-15(12)17(23)19-14-7-9-22(10-8-14)18(24)16-11-13(2)20-21-16/h3-6,11,14H,7-10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyRWLQOPDGHQTBPW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide

2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide (PubChem CID 136577969) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
PubChem CID136577969
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n[nH]1
InChIInChI=1S/C18H22N4O2/c1-12-5-3-4-6-15(12)17(23)19-14-7-9-22(10-8-14)18(24)16-11-13(2)20-21-16/h3-6,11,14H,7-10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyRWLQOPDGHQTBPW-UHFFFAOYSA-N
XLogP2.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
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-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 39510669
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 126805706

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide (CID 136577969) is 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide is Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n[nH]1.
What is the InChIKey of 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is RWLQOPDGHQTBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-5-3-4-6-15(12)17(23)19-14-7-9-22(10-8-14)18(24)16-11-13(2)20-21-16/h3-6,11,14H,7-10H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide?
2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 136577969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).