N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide

C13H16N6O — CID 43712968

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCCCN1
InChIInChI=1S/C13H16N6O/c20-13(11-6-1-2-7-14-11)15-10-5-3-4-9(8-10)12-16-18-19-17-12/h3-5,8,11,14H,1-2,6-7H2,(H,15,20)(H,16,17,18,19)
InChIKeyAAPKSKWFMDJNPW-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.95
Rot. Bonds3

About N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide

N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide (PubChem CID 43712968) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
PubChem CID43712968
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCCCN1
InChIInChI=1S/C13H16N6O/c20-13(11-6-1-2-7-14-11)15-10-5-3-4-9(8-10)12-16-18-19-17-12/h3-5,8,11,14H,1-2,6-7H2,(H,15,20)(H,16,17,18,19)
InChIKeyAAPKSKWFMDJNPW-UHFFFAOYSA-N
XLogP0.95
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-pyrazol-5-yl)phenyl]azepane-2-carboxamide
CID 64563413
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941735
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119280479
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119293654
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 61177985
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide (CID 43712968) is N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCCCN1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is AAPKSKWFMDJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(11-6-1-2-7-14-11)15-10-5-3-4-9(8-10)12-16-18-19-17-12/h3-5,8,11,14H,1-2,6-7H2,(H,15,20)(H,16,17,18,19).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide?
N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 43712968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).