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

C15H19N5O — CID 43706685

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)C1CCCNC1
InChIInChI=1S/C15H19N5O/c1-20-10-17-19-14(20)12-6-2-3-7-13(12)18-15(21)11-5-4-8-16-9-11/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3,(H,18,21)
InChIKeyYJYWFGVFRUBBKY-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.42
Rot. Bonds3

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide (PubChem CID 43706685) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
PubChem CID43706685
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)C1CCCNC1
InChIInChI=1S/C15H19N5O/c1-20-10-17-19-14(20)12-6-2-3-7-13(12)18-15(21)11-5-4-8-16-9-11/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3,(H,18,21)
InChIKeyYJYWFGVFRUBBKY-UHFFFAOYSA-N
XLogP1.42
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 63007220
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119294822
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 43706680
N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252
2-(cyclopropylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60842162
(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 102805576
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119286230
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119276218
N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 43709708

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide (CID 43706685) is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide is Cn1cnnc1-c1ccccc1NC(=O)C1CCCNC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is YJYWFGVFRUBBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-20-10-17-19-14(20)12-6-2-3-7-13(12)18-15(21)11-5-4-8-16-9-11/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43706685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).