1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

C16H19ClN2O2 — CID 64874325

IUPAC1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C2CC2)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C16H19ClN2O2/c1-10-14(20)19(9-11-5-3-4-6-13(11)17)16(2,12-7-8-12)15(21)18-10/h3-6,10,12H,7-9H2,1-2H3,(H,18,21)
InChIKeyJHTKPDYAFRTSNO-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.36
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64874325) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64874325
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C2CC2)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C16H19ClN2O2/c1-10-14(20)19(9-11-5-3-4-6-13(11)17)16(2,12-7-8-12)15(21)18-10/h3-6,10,12H,7-9H2,1-2H3,(H,18,21)
InChIKeyJHTKPDYAFRTSNO-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874922
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875282
6-cyclopropyl-3,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902022
6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879939
1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 102620919
1-[(2-chlorophenyl)methyl]-3-methyl-6-(1-phenylethyl)piperazine-2,5-dione
CID 10089674
1-[(2-chloro-5-fluorophenyl)methyl]-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 102620817
6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874307
1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874522
1-[(3-chloro-2-fluorophenyl)methyl]-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 102862934
3-butan-2-yl-1-[(2-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64901749

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (CID 64874325) is 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is CC1NC(=O)C(C)(C2CC2)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is JHTKPDYAFRTSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10-14(20)19(9-11-5-3-4-6-13(11)17)16(2,12-7-8-12)15(21)18-10/h3-6,10,12H,7-9H2,1-2H3,(H,18,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 306.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64874325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).