6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione

C16H20N2O3 — CID 64875276

IUPAC6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCOc1ccccc1CN1C(=O)C(C)NC(=O)C1C1CC1
InChIInChI=1S/C16H20N2O3/c1-10-16(20)18(14(11-7-8-11)15(19)17-10)9-12-5-3-4-6-13(12)21-2/h3-6,10-11,14H,7-9H2,1-2H3,(H,17,19)
InChIKeyGIXJKPGKKPVRRB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.32
Rot. Bonds4

About 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione

6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 64875276) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID64875276
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCOc1ccccc1CN1C(=O)C(C)NC(=O)C1C1CC1
InChIInChI=1S/C16H20N2O3/c1-10-16(20)18(14(11-7-8-11)15(19)17-10)9-12-5-3-4-6-13(12)21-2/h3-6,10-11,14H,7-9H2,1-2H3,(H,17,19)
InChIKeyGIXJKPGKKPVRRB-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione 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-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
6-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64872906
6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874307
6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 104795313
6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64875272
1-(cyclopentylmethyl)-6-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64874680
1-[(4-chloro-3-fluorophenyl)methyl]-6-cyclopropyl-3-methylpiperazine-2,5-dione
CID 107888774
1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64875448
6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione
CID 65177758
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione (CID 64875276) is 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione is COc1ccccc1CN1C(=O)C(C)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is GIXJKPGKKPVRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-16(20)18(14(11-7-8-11)15(19)17-10)9-12-5-3-4-6-13(12)21-2/h3-6,10-11,14H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64875276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).