(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide

C14H16ClN5O — CID 104913077

IUPAC(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cncn1)[C@@H]1CCCCN1
InChIInChI=1S/C14H16ClN5O/c15-10-4-3-6-11(13(10)20-9-16-8-18-20)19-14(21)12-5-1-2-7-17-12/h3-4,6,8-9,12,17H,1-2,5,7H2,(H,19,21)/t12-/m0/s1
InChIKeyCMPZGHVSFHJFGE-LBPRGKRZSA-N
MW305.77 g/mol
LogP2.00
Rot. Bonds3

About (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide

(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 104913077) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID104913077
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cncn1)[C@@H]1CCCCN1
InChIInChI=1S/C14H16ClN5O/c15-10-4-3-6-11(13(10)20-9-16-8-18-20)19-14(21)12-5-1-2-7-17-12/h3-4,6,8-9,12,17H,1-2,5,7H2,(H,19,21)/t12-/m0/s1
InChIKeyCMPZGHVSFHJFGE-LBPRGKRZSA-N
XLogP2.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913002
(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-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 61169536
N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193
(2R)-N-(3-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 28969312
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,3-dicyclopropylprop-2-enamide
CID 154774877
4-amino-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79210127
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93265591
N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 71942875
N-(3-chloro-2-pyrazol-1-ylphenyl)thiomorpholine-3-carboxamide
CID 82896732
(2S)-N-(2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912988

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide (CID 104913077) is (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide is O=C(Nc1cccc(Cl)c1-n1cncn1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is CMPZGHVSFHJFGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-10-4-3-6-11(13(10)20-9-16-8-18-20)19-14(21)12-5-1-2-7-17-12/h3-4,6,8-9,12,17H,1-2,5,7H2,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 104913077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).