1-(2-phenylcyclopropyl)piperazine-2,5-dione

C13H14N2O2 — CID 64955530

IUPAC1-(2-phenylcyclopropyl)piperazine-2,5-dione
SMILESO=C1CN(C2CC2c2ccccc2)C(=O)CN1
InChIInChI=1S/C13H14N2O2/c16-12-8-15(13(17)7-14-12)11-6-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,16)
InChIKeyPAQNSDMLHDUPBM-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.50
Rot. Bonds2

About 1-(2-phenylcyclopropyl)piperazine-2,5-dione

1-(2-phenylcyclopropyl)piperazine-2,5-dione (PubChem CID 64955530) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)piperazine-2,5-dione
PubChem CID64955530
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(2-phenylcyclopropyl)piperazine-2,5-dione
SMILESO=C1CN(C2CC2c2ccccc2)C(=O)CN1
InChIInChI=1S/C13H14N2O2/c16-12-8-15(13(17)7-14-12)11-6-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,16)
InChIKeyPAQNSDMLHDUPBM-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione
CID 64967320
1-(2-phenylcyclopropyl)pyrrolidine-2,4-dione
CID 79515896
1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967274
1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 11264129
3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64967286
(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 94003407
1-(2-methylcyclohexyl)piperazine-2,5-dione
CID 64955602
2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914120
4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one
CID 168506461
4-(2-phenylcyclopropyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898212
3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 120758501
(4R,5R)-5-ethyl-4-phenylpiperidin-2-one
CID 101133780

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)piperazine-2,5-dione?
The IUPAC name of 1-(2-phenylcyclopropyl)piperazine-2,5-dione (CID 64955530) is 1-(2-phenylcyclopropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-phenylcyclopropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2-phenylcyclopropyl)piperazine-2,5-dione is O=C1CN(C2CC2c2ccccc2)C(=O)CN1.
What is the InChIKey of 1-(2-phenylcyclopropyl)piperazine-2,5-dione?
The InChIKey is PAQNSDMLHDUPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-8-15(13(17)7-14-12)11-6-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,16).
What are the key properties of 1-(2-phenylcyclopropyl)piperazine-2,5-dione?
1-(2-phenylcyclopropyl)piperazine-2,5-dione has a molecular weight of 230.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)piperazine-2,5-dione is sourced from PubChem (CID 64955530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).