N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride

C16H21ClN4O — CID 120557656

IUPACN-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12-11-17-9-7-15(12)19-16(21)13-3-5-14(6-4-13)20-10-2-8-18-20;/h2-6,8,10,12,15,17H,7,9,11H2,1H3,(H,19,21);1H
InChIKeyHKDARYUFWFBTAZ-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.02
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride

N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride (PubChem CID 120557656) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
PubChem CID120557656
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12-11-17-9-7-15(12)19-16(21)13-3-5-14(6-4-13)20-10-2-8-18-20;/h2-6,8,10,12,15,17H,7,9,11H2,1H3,(H,19,21);1H
InChIKeyHKDARYUFWFBTAZ-UHFFFAOYSA-N
XLogP2.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120557850
4-(benzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555950
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534837
N-(3-methylpiperidin-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 120556062
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120554586
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120555623
N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide
CID 119461275
N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 120555808

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride (CID 120557656) is N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride?
The InChIKey is HKDARYUFWFBTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-12-11-17-9-7-15(12)19-16(21)13-3-5-14(6-4-13)20-10-2-8-18-20;/h2-6,8,10,12,15,17H,7,9,11H2,1H3,(H,19,21);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 120557656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).