(2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide

C13H16N6O — CID 104912986

IUPAC(2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cnnn1)[C@@H]1CCCCN1
InChIInChI=1S/C13H16N6O/c20-13(11-6-3-4-8-14-11)16-10-5-1-2-7-12(10)19-9-15-17-18-19/h1-2,5,7,9,11,14H,3-4,6,8H2,(H,16,20)/t11-/m0/s1
InChIKeyHKPBMRJSSAOTII-NSHDSACASA-N
MW272.31 g/mol
LogP0.74
Rot. Bonds3

About (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide

(2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 104912986) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID104912986
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cnnn1)[C@@H]1CCCCN1
InChIInChI=1S/C13H16N6O/c20-13(11-6-3-4-8-14-11)16-10-5-1-2-7-12(10)19-9-15-17-18-19/h1-2,5,7,9,11,14H,3-4,6,8H2,(H,16,20)/t11-/m0/s1
InChIKeyHKPBMRJSSAOTII-NSHDSACASA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912988
(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913002
(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912825
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
CID 43702152
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913644
(2R)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide (CID 104912986) is (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide is O=C(Nc1ccccc1-n1cnnn1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is HKPBMRJSSAOTII-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(11-6-3-4-8-14-11)16-10-5-1-2-7-12(10)19-9-15-17-18-19/h1-2,5,7,9,11,14H,3-4,6,8H2,(H,16,20)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
(2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 104912986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).