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

C14H15ClN2O2 — CID 64962241

IUPAC1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCc1c(Cl)cccc1N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C14H15ClN2O2/c1-8-10(15)3-2-4-11(8)17-7-12(18)16-13(14(17)19)9-5-6-9/h2-4,9,13H,5-7H2,1H3,(H,16,18)
InChIKeyOLAVJXKJPOXCLY-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.89
Rot. Bonds2

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

1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione (PubChem CID 64962241) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
PubChem CID64962241
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCc1c(Cl)cccc1N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C14H15ClN2O2/c1-8-10(15)3-2-4-11(8)17-7-12(18)16-13(14(17)19)9-5-6-9/h2-4,9,13H,5-7H2,1H3,(H,16,18)
InChIKeyOLAVJXKJPOXCLY-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione (CID 64962241) is 1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione is Cc1c(Cl)cccc1N1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is OLAVJXKJPOXCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-8-10(15)3-2-4-11(8)17-7-12(18)16-13(14(17)19)9-5-6-9/h2-4,9,13H,5-7H2,1H3,(H,16,18).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione?
1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 278.74 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 64962241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).