3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C22H25ClN4O — CID 119460163

IUPAC3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cccc(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C22H24N4O.ClH/c27-22(24-16-17-6-5-12-23-15-17)19-9-4-10-20(14-19)26-21(11-13-25-26)18-7-2-1-3-8-18;/h1-4,7-11,13-14,17,23H,5-6,12,15-16H2,(H,24,27);1H
InChIKeyXCNUYABRBWZLBW-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.69
Rot. Bonds5

About 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119460163) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119460163
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cccc(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C22H24N4O.ClH/c27-22(24-16-17-6-5-12-23-15-17)19-9-4-10-20(14-19)26-21(11-13-25-26)18-7-2-1-3-8-18;/h1-4,7-11,13-14,17,23H,5-6,12,15-16H2,(H,24,27);1H
InChIKeyXCNUYABRBWZLBW-UHFFFAOYSA-N
XLogP3.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119559473
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119463641
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide
CID 119461275
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119648835
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
3-phenyl-N-(piperidin-3-ylmethyl)imidazole-4-carboxamide
CID 119464372
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119460163) is 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1cccc(-n2nccc2-c2ccccc2)c1.
What is the InChIKey of 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is XCNUYABRBWZLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c27-22(24-16-17-6-5-12-23-15-17)19-9-4-10-20(14-19)26-21(11-13-25-26)18-7-2-1-3-8-18;/h1-4,7-11,13-14,17,23H,5-6,12,15-16H2,(H,24,27);1H.
What are the key properties of 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119460163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).