(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide

C14H17N5O — CID 104913002

IUPAC(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cncn1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17N5O/c20-14(12-6-3-4-8-16-12)18-11-5-1-2-7-13(11)19-10-15-9-17-19/h1-2,5,7,9-10,12,16H,3-4,6,8H2,(H,18,20)/t12-/m0/s1
InChIKeyCOBHOQAUSAPUPG-LBPRGKRZSA-N
MW271.32 g/mol
LogP1.35
Rot. Bonds3

About (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide

(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 104913002) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID104913002
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cncn1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17N5O/c20-14(12-6-3-4-8-16-12)18-11-5-1-2-7-13(11)19-10-15-9-17-19/h1-2,5,7,9-10,12,16H,3-4,6,8H2,(H,18,20)/t12-/m0/s1
InChIKeyCOBHOQAUSAPUPG-LBPRGKRZSA-N
XLogP1.35
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2S)-N-(2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912988
(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913077
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 61169536
(2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104912986
(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912825
N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 106633347
(2S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 61165185
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60945171
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 71942875

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide (CID 104913002) is (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide is O=C(Nc1ccccc1-n1cncn1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is COBHOQAUSAPUPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(12-6-3-4-8-16-12)18-11-5-1-2-7-13(11)19-10-15-9-17-19/h1-2,5,7,9-10,12,16H,3-4,6,8H2,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 104913002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).