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

C14H17N5O — CID 103809386

IUPAC(2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17N5O/c20-14(13-3-1-2-8-15-13)18-11-4-6-12(7-5-11)19-16-9-10-17-19/h4-7,9-10,13,15H,1-3,8H2,(H,18,20)/t13-/m0/s1
InChIKeyRFVVPGAHOWCSSU-ZDUSSCGKSA-N
MW271.32 g/mol
LogP1.35
Rot. Bonds3

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

(2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide (PubChem CID 103809386) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
PubChem CID103809386
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17N5O/c20-14(13-3-1-2-8-15-13)18-11-4-6-12(7-5-11)19-16-9-10-17-19/h4-7,9-10,13,15H,1-3,8H2,(H,18,20)/t13-/m0/s1
InChIKeyRFVVPGAHOWCSSU-ZDUSSCGKSA-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

(2R)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809385
N-(4-pyrrolidin-1-ylphenyl)azepane-2-carboxamide
CID 64562834
(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide
CID 119748779
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697835
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide (CID 103809386) is (2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(-n2nccn2)cc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is RFVVPGAHOWCSSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(13-3-1-2-8-15-13)18-11-4-6-12(7-5-11)19-16-9-10-17-19/h4-7,9-10,13,15H,1-3,8H2,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide?
(2S)-N-[4-(triazol-2-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-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103809386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).