3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione

C16H20N2O2 — CID 64973621

IUPAC3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
SMILESCCc1ccccc1CN1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C16H20N2O2/c1-2-11-5-3-4-6-13(11)9-18-10-14(19)17-15(16(18)20)12-7-8-12/h3-6,12,15H,2,7-10H2,1H3,(H,17,19)
InChIKeySFJXBLRFPBAKQX-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds4

About 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione

3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64973621) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
PubChem CID64973621
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
SMILESCCc1ccccc1CN1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C16H20N2O2/c1-2-11-5-3-4-6-13(11)9-18-10-14(19)17-15(16(18)20)12-7-8-12/h3-6,12,15H,2,7-10H2,1H3,(H,17,19)
InChIKeySFJXBLRFPBAKQX-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64973634
1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
CID 64879430
3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 82744928
3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione
CID 64879445
3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
CID 64973137
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
CID 64879437
1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
CID 65331613
3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
CID 106897976
3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 64879252
3-cyclopropyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64969970
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione (CID 64973621) is 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione is CCc1ccccc1CN1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is SFJXBLRFPBAKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-11-5-3-4-6-13(11)9-18-10-14(19)17-15(16(18)20)12-7-8-12/h3-6,12,15H,2,7-10H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64973621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).