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

C13H13ClN2O2 — CID 64961221

IUPAC1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESO=C1CN(c2cccc(Cl)c2)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H13ClN2O2/c14-9-2-1-3-10(6-9)16-7-11(17)15-12(13(16)18)8-4-5-8/h1-3,6,8,12H,4-5,7H2,(H,15,17)
InChIKeyBDRKIZAXQZNXRG-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.58
Rot. Bonds2

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

1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione (PubChem CID 64961221) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
PubChem CID64961221
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESO=C1CN(c2cccc(Cl)c2)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H13ClN2O2/c14-9-2-1-3-10(6-9)16-7-11(17)15-12(13(16)18)8-4-5-8/h1-3,6,8,12H,4-5,7H2,(H,15,17)
InChIKeyBDRKIZAXQZNXRG-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
CID 107580233
3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione
CID 64969701
1-(3-bromo-4-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 104781831
3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
CID 64959039
1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64962241
1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961745
3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64959895
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
3-cyclopropyl-1-(3-iodophenyl)-1,4-diazepane-2,5-dione
CID 64962833
1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 107531619
(1S,2R,6R,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98173936
(1S,2R,6S,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119677

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione (CID 64961221) is 1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione is O=C1CN(c2cccc(Cl)c2)C(=O)C(C2CC2)N1.
What is the InChIKey of 1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is BDRKIZAXQZNXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-9-2-1-3-10(6-9)16-7-11(17)15-12(13(16)18)8-4-5-8/h1-3,6,8,12H,4-5,7H2,(H,15,17).
What are the key properties of 1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione?
1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 264.71 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 64961221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).