phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone

C14H16N4O — CID 121164762

IUPACphenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C14H16N4O/c19-14(12-4-2-1-3-5-12)17-10-6-13(7-11-17)18-15-8-9-16-18/h1-5,8-9,13H,6-7,10-11H2
InChIKeyJJIYPAIKNKTYIK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.76
Rot. Bonds2

About phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone

phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121164762) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
PubChem CID121164762
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Namephenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C14H16N4O/c19-14(12-4-2-1-3-5-12)17-10-6-13(7-11-17)18-15-8-9-16-18/h1-5,8-9,13H,6-7,10-11H2
InChIKeyJJIYPAIKNKTYIK-UHFFFAOYSA-N
XLogP1.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164861
[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121164835
1-phenyl-5-[4-(triazol-2-yl)piperidin-1-yl]pentane-1,5-dione
CID 121164859
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452
(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124759378
[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164916
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164760
[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165004
[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 50997467
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone (CID 121164762) is phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(n2nccn2)CC1.
What is the InChIKey of phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is JJIYPAIKNKTYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(12-4-2-1-3-5-12)17-10-6-13(7-11-17)18-15-8-9-16-18/h1-5,8-9,13H,6-7,10-11H2.
What are the key properties of phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone?
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 256.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121164762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).