1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one

C20H28N2O4 — CID 70711761

IUPAC1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one
SMILESCc1cc(C)cc(CN2CCN(C(=O)COCC3CCCO3)CC2=O)c1
InChIInChI=1S/C20H28N2O4/c1-15-8-16(2)10-17(9-15)11-21-5-6-22(12-19(21)23)20(24)14-25-13-18-4-3-7-26-18/h8-10,18H,3-7,11-14H2,1-2H3
InChIKeyMBWXJLZRDDYIJA-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.67
Rot. Bonds6

About 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one

1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one (PubChem CID 70711761) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one
PubChem CID70711761
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one
SMILESCc1cc(C)cc(CN2CCN(C(=O)COCC3CCCO3)CC2=O)c1
InChIInChI=1S/C20H28N2O4/c1-15-8-16(2)10-17(9-15)11-21-5-6-22(12-19(21)23)20(24)14-25-13-18-4-3-7-26-18/h8-10,18H,3-7,11-14H2,1-2H3
InChIKeyMBWXJLZRDDYIJA-UHFFFAOYSA-N
XLogP1.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]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-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one (CID 70711761) is 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one is Cc1cc(C)cc(CN2CCN(C(=O)COCC3CCCO3)CC2=O)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one?
The InChIKey is MBWXJLZRDDYIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-8-16(2)10-17(9-15)11-21-5-6-22(12-19(21)23)20(24)14-25-13-18-4-3-7-26-18/h8-10,18H,3-7,11-14H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one?
1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one has a molecular weight of 360.45 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one is sourced from PubChem (CID 70711761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).