3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one

C14H23N5O2 — CID 131927212

IUPAC3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)CCn1cnnc1
InChIInChI=1S/C14H23N5O2/c1-3-4-5-12-14(21)17(2)8-9-19(12)13(20)6-7-18-10-15-16-11-18/h10-12H,3-9H2,1-2H3
InChIKeyZMKXVSXWNYJOGC-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.53
Rot. Bonds6

About 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one

3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one (PubChem CID 131927212) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one
PubChem CID131927212
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)CCn1cnnc1
InChIInChI=1S/C14H23N5O2/c1-3-4-5-12-14(21)17(2)8-9-19(12)13(20)6-7-18-10-15-16-11-18/h10-12H,3-9H2,1-2H3
InChIKeyZMKXVSXWNYJOGC-UHFFFAOYSA-N
XLogP0.53
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one (CID 131927212) is 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)CCn1cnnc1.
What is the InChIKey of 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one?
The InChIKey is ZMKXVSXWNYJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-4-5-12-14(21)17(2)8-9-19(12)13(20)6-7-18-10-15-16-11-18/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one?
3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one has a molecular weight of 293.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 131927212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).