1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one

C18H22N4O2 — CID 45168454

IUPAC1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one
SMILESCC1C(=O)N(Cc2ccccc2)CCN1C(=O)CCc1cn[nH]c1
InChIInChI=1S/C18H22N4O2/c1-14-18(24)21(13-15-5-3-2-4-6-15)9-10-22(14)17(23)8-7-16-11-19-20-12-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,20)
InChIKeyJEFVIWPNEAKABI-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.60
Rot. Bonds5

About 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one

1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one (PubChem CID 45168454) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one
PubChem CID45168454
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one
SMILESCC1C(=O)N(Cc2ccccc2)CCN1C(=O)CCc1cn[nH]c1
InChIInChI=1S/C18H22N4O2/c1-14-18(24)21(13-15-5-3-2-4-6-15)9-10-22(14)17(23)8-7-16-11-19-20-12-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,20)
InChIKeyJEFVIWPNEAKABI-UHFFFAOYSA-N
XLogP1.60
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-methyl-4-[3-(1H-pyrazol-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 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one?
The IUPAC name of 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one (CID 45168454) is 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one is CC1C(=O)N(Cc2ccccc2)CCN1C(=O)CCc1cn[nH]c1.
What is the InChIKey of 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one?
The InChIKey is JEFVIWPNEAKABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14-18(24)21(13-15-5-3-2-4-6-15)9-10-22(14)17(23)8-7-16-11-19-20-12-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,20).
What are the key properties of 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one?
1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 45168454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).