1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione

C14H15ClN2O3 — CID 64961745

IUPAC1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C14H15ClN2O3/c1-20-11-5-4-9(15)6-10(11)17-7-12(18)16-13(14(17)19)8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H,16,18)
InChIKeySBNZECAJJUXPQQ-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione

1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione (PubChem CID 64961745) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
PubChem CID64961745
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C14H15ClN2O3/c1-20-11-5-4-9(15)6-10(11)17-7-12(18)16-13(14(17)19)8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H,16,18)
InChIKeySBNZECAJJUXPQQ-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione (CID 64961745) is 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione is COc1ccc(Cl)cc1N1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is SBNZECAJJUXPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-20-11-5-4-9(15)6-10(11)17-7-12(18)16-13(14(17)19)8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione?
1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 294.74 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 64961745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).