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

C13H16N6O — CID 43702817

IUPACN-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCNCC1
InChIInChI=1S/C13H16N6O/c20-13(10-4-6-14-7-5-10)16-11-2-1-3-12(8-11)19-9-15-17-18-19/h1-3,8-10,14H,4-7H2,(H,16,20)
InChIKeyOEKXSBGEGMUFRQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.60
Rot. Bonds3

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

N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 43702817) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID43702817
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCNCC1
InChIInChI=1S/C13H16N6O/c20-13(10-4-6-14-7-5-10)16-11-2-1-3-12(8-11)19-9-15-17-18-19/h1-3,8-10,14H,4-7H2,(H,16,20)
InChIKeyOEKXSBGEGMUFRQ-UHFFFAOYSA-N
XLogP0.60
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 114422985
2-amino-N-[3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685776
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 25371663
1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
CID 47199011
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125166963
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 22109175
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
4-(methoxymethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 120617842
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 120918921

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (CID 43702817) is N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)C1CCNCC1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is OEKXSBGEGMUFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(10-4-6-14-7-5-10)16-11-2-1-3-12(8-11)19-9-15-17-18-19/h1-3,8-10,14H,4-7H2,(H,16,20).
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43702817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).