3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride

C14H19ClN6O — CID 119943848

IUPAC3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2cccc(-n3cnnn3)c2)CCCNC1.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-14(6-3-7-15-9-14)13(21)17-11-4-2-5-12(8-11)20-10-16-18-19-20;/h2,4-5,8,10,15H,3,6-7,9H2,1H3,(H,17,21);1H
InChIKeyTWANTNBKCQVOFE-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.41
Rot. Bonds3

About 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride

3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119943848) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119943848
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2cccc(-n3cnnn3)c2)CCCNC1.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-14(6-3-7-15-9-14)13(21)17-11-4-2-5-12(8-11)20-10-16-18-19-20;/h2,4-5,8,10,15H,3,6-7,9H2,1H3,(H,17,21);1H
InChIKeyTWANTNBKCQVOFE-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623
4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 120617842
N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130122
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119943872
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
3-methyl-N-[3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 63130562
(3S)-3-methyl-1-oxo-N-[3-(tetrazol-1-yl)phenyl]-4H-isochromene-3-carboxamide
CID 7710891
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 119943913
1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
CID 47199011

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119943848) is 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride is CC1(C(=O)Nc2cccc(-n3cnnn3)c2)CCCNC1.Cl.
What is the InChIKey of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is TWANTNBKCQVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.ClH/c1-14(6-3-7-15-9-14)13(21)17-11-4-2-5-12(8-11)20-10-16-18-19-20;/h2,4-5,8,10,15H,3,6-7,9H2,1H3,(H,17,21);1H.
What are the key properties of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119943848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).