4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide

C14H18N6O — CID 114422985

IUPAC4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C14H18N6O/c1-10-5-6-15-13(7-10)14(21)17-11-3-2-4-12(8-11)20-9-16-18-19-20/h2-4,8-10,13,15H,5-7H2,1H3,(H,17,21)
InChIKeyNRPNSCJZLJVHCD-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.99
Rot. Bonds3

About 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide

4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 114422985) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID114422985
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C14H18N6O/c1-10-5-6-15-13(7-10)14(21)17-11-3-2-4-12(8-11)20-9-16-18-19-20/h2-4,8-10,13,15H,5-7H2,1H3,(H,17,21)
InChIKeyNRPNSCJZLJVHCD-UHFFFAOYSA-N
XLogP0.99
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423130
N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679
2-amino-N-[3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685776
1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
CID 47199011
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 114422692
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125166963
(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 26409028

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide (CID 114422985) is 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide is CC1CCNC(C(=O)Nc2cccc(-n3cnnn3)c2)C1.
What is the InChIKey of 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is NRPNSCJZLJVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-5-6-15-13(7-10)14(21)17-11-3-2-4-12(8-11)20-9-16-18-19-20/h2-4,8-10,13,15H,5-7H2,1H3,(H,17,21).
What are the key properties of 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 114422985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).