1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione

C13H15ClN2O2 — CID 64962555

IUPAC1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccccc2Cl)C1=O
InChIInChI=1S/C13H15ClN2O2/c1-2-5-10-13(18)16(8-12(17)15-10)11-7-4-3-6-9(11)14/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,17)
InChIKeyPBZORKUKVUMAQC-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.97
Rot. Bonds3

About 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione

1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione (PubChem CID 64962555) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
PubChem CID64962555
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccccc2Cl)C1=O
InChIInChI=1S/C13H15ClN2O2/c1-2-5-10-13(18)16(8-12(17)15-10)11-7-4-3-6-9(11)14/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,17)
InChIKeyPBZORKUKVUMAQC-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(2-chlorophenyl)piperazine-2,5-dione
CID 64962602
1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione
CID 64962337
1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202
1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957820
1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959948
1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
CID 107623446
1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64961022
3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956276
1-[(2-chloro-6-fluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880744
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107617423
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione (CID 64962555) is 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione?
The InChIKey is PBZORKUKVUMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-5-10-13(18)16(8-12(17)15-10)11-7-4-3-6-9(11)14/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,17).
What are the key properties of 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione?
1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione has a molecular weight of 266.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64962555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).