(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide

C14H16ClN5O — CID 81119792

IUPAC(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCNC1
InChIInChI=1S/C14H16ClN5O/c15-11-3-4-13(20-9-17-8-18-20)12(6-11)19-14(21)10-2-1-5-16-7-10/h3-4,6,8-10,16H,1-2,5,7H2,(H,19,21)/t10-/m1/s1
InChIKeyIDGKWCSRUFDBKC-SNVBAGLBSA-N
MW305.77 g/mol
LogP1.86
Rot. Bonds3

About (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 81119792) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID81119792
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCNC1
InChIInChI=1S/C14H16ClN5O/c15-11-3-4-13(20-9-17-8-18-20)12(6-11)19-14(21)10-2-1-5-16-7-10/h3-4,6,8-10,16H,1-2,5,7H2,(H,19,21)/t10-/m1/s1
InChIKeyIDGKWCSRUFDBKC-SNVBAGLBSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119455
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46796952
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 18090216
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 34066852
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453
cis-(1S,3R)-3-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391756
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583209
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide (CID 81119792) is (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is IDGKWCSRUFDBKC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-11-3-4-13(20-9-17-8-18-20)12(6-11)19-14(21)10-2-1-5-16-7-10/h3-4,6,8-10,16H,1-2,5,7H2,(H,19,21)/t10-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81119792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).