(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C16H20N4O2 — CID 110886791

IUPAC(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nn1)N1CCCC(CO)C1
InChIInChI=1S/C16H20N4O2/c21-12-14-7-4-8-19(9-14)16(22)15-11-20(18-17-15)10-13-5-2-1-3-6-13/h1-3,5-6,11,14,21H,4,7-10,12H2
InChIKeyVAIRMZQXUJDCNI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.17
Rot. Bonds4

About (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110886791) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110886791
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nn1)N1CCCC(CO)C1
InChIInChI=1S/C16H20N4O2/c21-12-14-7-4-8-19(9-14)16(22)15-11-20(18-17-15)10-13-5-2-1-3-6-13/h1-3,5-6,11,14,21H,4,7-10,12H2
InChIKeyVAIRMZQXUJDCNI-UHFFFAOYSA-N
XLogP1.17
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)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

(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45176404
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873
[1-(3-phenylpropyl)triazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45237482
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289739
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
CID 26337295
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
2-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39487776
1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 45188655

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110886791) is (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cn(Cc2ccccc2)nn1)N1CCCC(CO)C1.
What is the InChIKey of (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is VAIRMZQXUJDCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-12-14-7-4-8-19(9-14)16(22)15-11-20(18-17-15)10-13-5-2-1-3-6-13/h1-3,5-6,11,14,21H,4,7-10,12H2.
What are the key properties of (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110886791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).