4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one

C19H26N4O — CID 72907845

IUPAC4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one
SMILESCc1nc(CCCC(=O)c2ccccc2)n(C2CCN(C)CC2)n1
InChIInChI=1S/C19H26N4O/c1-15-20-19(23(21-15)17-11-13-22(2)14-12-17)10-6-9-18(24)16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-14H2,1-2H3
InChIKeyAVQXDZFKAIEOGL-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.06
Rot. Bonds6

About 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one

4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one (PubChem CID 72907845) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one
PubChem CID72907845
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one
SMILESCc1nc(CCCC(=O)c2ccccc2)n(C2CCN(C)CC2)n1
InChIInChI=1S/C19H26N4O/c1-15-20-19(23(21-15)17-11-13-22(2)14-12-17)10-6-9-18(24)16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-14H2,1-2H3
InChIKeyAVQXDZFKAIEOGL-UHFFFAOYSA-N
XLogP3.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one 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

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-phenylpropan-1-one
CID 116691858
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one
CID 64777764
1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 69351372
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
CID 110463372
1-benzyl-2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]piperidine
CID 72904678
1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine
CID 157014610
1-phenyl-5-[4-(triazol-2-yl)piperidin-1-yl]pentane-1,5-dione
CID 121164859
1-[4-(1-methylpiperidin-4-yl)phenyl]pentan-1-one
CID 101453044
1,15-diphenylpentadecane-1,15-dione
CID 159981687
4-[2-cyclohexyl-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]butanoic acid
CID 74235920

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one?
The IUPAC name of 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one (CID 72907845) is 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one?
The canonical SMILES for 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one is Cc1nc(CCCC(=O)c2ccccc2)n(C2CCN(C)CC2)n1.
What is the InChIKey of 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one?
The InChIKey is AVQXDZFKAIEOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-20-19(23(21-15)17-11-13-22(2)14-12-17)10-6-9-18(24)16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-14H2,1-2H3.
What are the key properties of 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one?
4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-1-phenylbutan-1-one is sourced from PubChem (CID 72907845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).