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

C15H19N5O — CID 119311516

IUPACN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3CCCNC3)cc2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10-17-14(20-19-10)11-4-6-13(7-5-11)18-15(21)12-3-2-8-16-9-12/h4-7,12,16H,2-3,8-9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyILNIHOHHTMYPKZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds3

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

N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide (PubChem CID 119311516) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
PubChem CID119311516
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3CCCNC3)cc2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10-17-14(20-19-10)11-4-6-13(7-5-11)18-15(21)12-3-2-8-16-9-12/h4-7,12,16H,2-3,8-9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyILNIHOHHTMYPKZ-UHFFFAOYSA-N
XLogP1.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
9-amino-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988110
cis-(1S,2R)-2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 166288343
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167761264
N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 126772083
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-3-carboxamide
CID 119314187
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
N-[4-(1H-imidazol-2-yl)phenyl]piperidine-3-carboxamide
CID 110471952
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119295911

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide (CID 119311516) is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide is Cc1nc(-c2ccc(NC(=O)C3CCCNC3)cc2)n[nH]1.
What is the InChIKey of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is ILNIHOHHTMYPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-17-14(20-19-10)11-4-6-13(7-5-11)18-15(21)12-3-2-8-16-9-12/h4-7,12,16H,2-3,8-9H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119311516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).