N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride

C14H19ClN6O — CID 120601332

IUPACN-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(-n3cnnn3)c2)CCN1.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-10-7-12(5-6-15-10)17-14(21)11-3-2-4-13(8-11)20-9-16-18-19-20;/h2-4,8-10,12,15H,5-7H2,1H3,(H,17,21);1H
InChIKeyYIHVBBQPEAVOBL-UHFFFAOYSA-N
MW322.80 g/mol
LogP0.95
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride

N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 120601332) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID120601332
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(-n3cnnn3)c2)CCN1.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-10-7-12(5-6-15-10)17-14(21)11-3-2-4-13(8-11)20-9-16-18-19-20;/h2-4,8-10,12,15H,5-7H2,1H3,(H,17,21);1H
InChIKeyYIHVBBQPEAVOBL-UHFFFAOYSA-N
XLogP0.95
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[3-(tetrazol-1-yl)benzoyl]amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxylate
CID 74624441
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
N-(2-methylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 120601523
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 18271808
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride (CID 120601332) is N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride is CC1CC(NC(=O)c2cccc(-n3cnnn3)c2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is YIHVBBQPEAVOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.ClH/c1-10-7-12(5-6-15-10)17-14(21)11-3-2-4-13(8-11)20-9-16-18-19-20;/h2-4,8-10,12,15H,5-7H2,1H3,(H,17,21);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 120601332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).