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

C15H19N5O — CID 63130247

IUPAC3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(-n3nccn3)cc2)CCCNC1
InChIInChI=1S/C15H19N5O/c1-15(7-2-8-16-11-15)14(21)19-12-3-5-13(6-4-12)20-17-9-10-18-20/h3-6,9-10,16H,2,7-8,11H2,1H3,(H,19,21)
InChIKeyXCJTUVHDACHDDL-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds3

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

3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide (PubChem CID 63130247) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
PubChem CID63130247
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(-n3nccn3)cc2)CCCNC1
InChIInChI=1S/C15H19N5O/c1-15(7-2-8-16-11-15)14(21)19-12-3-5-13(6-4-12)20-17-9-10-18-20/h3-6,9-10,16H,2,7-8,11H2,1H3,(H,19,21)
InChIKeyXCJTUVHDACHDDL-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119702351
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718
1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 81485494
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide
CID 63134870
N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 63131115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide (CID 63130247) is 3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide is CC1(C(=O)Nc2ccc(-n3nccn3)cc2)CCCNC1.
What is the InChIKey of 3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is XCJTUVHDACHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(7-2-8-16-11-15)14(21)19-12-3-5-13(6-4-12)20-17-9-10-18-20/h3-6,9-10,16H,2,7-8,11H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide?
3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 63130247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).