4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride

C15H21ClN6O2 — CID 119720377

IUPAC4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CCNCC1.Cl
InChIInChI=1S/C15H20N6O2.ClH/c1-11-3-4-12(9-13(11)21-10-17-19-20-21)18-14(22)15(23-2)5-7-16-8-6-15;/h3-4,9-10,16H,5-8H2,1-2H3,(H,18,22);1H
InChIKeyJFVRPOXELIITHD-UHFFFAOYSA-N
MW352.83 g/mol
LogP1.10
Rot. Bonds4

About 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119720377) has the molecular formula C15H21ClN6O2 and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119720377
Molecular FormulaC15H21ClN6O2
Molecular Weight352.83 g/mol
Exact Mass352.14
IUPAC Name4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CCNCC1.Cl
InChIInChI=1S/C15H20N6O2.ClH/c1-11-3-4-12(9-13(11)21-10-17-19-20-21)18-14(22)15(23-2)5-7-16-8-6-15;/h3-4,9-10,16H,5-8H2,1-2H3,(H,18,22);1H
InChIKeyJFVRPOXELIITHD-UHFFFAOYSA-N
XLogP1.10
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260669
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119771638
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119768211

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119720377) is 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JFVRPOXELIITHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2.ClH/c1-11-3-4-12(9-13(11)21-10-17-19-20-21)18-14(22)15(23-2)5-7-16-8-6-15;/h3-4,9-10,16H,5-8H2,1-2H3,(H,18,22);1H.
What are the key properties of 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119720377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).