5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one

C18H23N5O2 — CID 70759783

IUPAC5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one
SMILESCc1ccc(N2CC(C)N(C(=O)CCCn3cncn3)CC2=O)cc1
InChIInChI=1S/C18H23N5O2/c1-14-5-7-16(8-6-14)23-10-15(2)22(11-18(23)25)17(24)4-3-9-21-13-19-12-20-21/h5-8,12-13,15H,3-4,9-11H2,1-2H3
InChIKeyFYXDDJKSDPUTTO-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.63
Rot. Bonds5

About 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one

5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one (PubChem CID 70759783) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one
PubChem CID70759783
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one
SMILESCc1ccc(N2CC(C)N(C(=O)CCCn3cncn3)CC2=O)cc1
InChIInChI=1S/C18H23N5O2/c1-14-5-7-16(8-6-14)23-10-15(2)22(11-18(23)25)17(24)4-3-9-21-13-19-12-20-21/h5-8,12-13,15H,3-4,9-11H2,1-2H3
InChIKeyFYXDDJKSDPUTTO-UHFFFAOYSA-N
XLogP1.63
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one with MolForge

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Related Compounds

(5S)-5-methyl-1-(4-methylphenyl)-4-[4-(2-oxopiperidin-1-yl)butanoyl]piperazin-2-one
CID 96578839
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 70740670
5-methyl-1-(4-methylphenyl)-4-[3-(1-methylpiperidin-4-yl)propanoyl]piperazin-2-one
CID 70767280
(5S)-5-methyl-1-(4-methylphenyl)-4-(2-propylsulfanylacetyl)piperazin-2-one
CID 96580243
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
1-(3-methyl-4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
CID 136567714
(5R)-5-methyl-4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96579575
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
CID 96582107
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70743002
(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one
CID 97146765

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one?
The IUPAC name of 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one (CID 70759783) is 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one is Cc1ccc(N2CC(C)N(C(=O)CCCn3cncn3)CC2=O)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one?
The InChIKey is FYXDDJKSDPUTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-5-7-16(8-6-14)23-10-15(2)22(11-18(23)25)17(24)4-3-9-21-13-19-12-20-21/h5-8,12-13,15H,3-4,9-11H2,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one?
5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one is sourced from PubChem (CID 70759783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).