3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one

C15H20N2O2 — CID 63602203

IUPAC3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-14-15(19)16-8-9-17(14)11-13(18)10-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3,(H,16,19)
InChIKeyPWZVVDCIFMXUDT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.01
Rot. Bonds5

About 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one

3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one (PubChem CID 63602203) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
PubChem CID63602203
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-14-15(19)16-8-9-17(14)11-13(18)10-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3,(H,16,19)
InChIKeyPWZVVDCIFMXUDT-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one
CID 63601149
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 63601156
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602156
1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
methyl 2-[(2S)-1-[2-(benzylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560174
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
CID 111436423

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one (CID 63602203) is 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one is CCC1C(=O)NCCN1CC(=O)Cc1ccccc1.
What is the InChIKey of 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one?
The InChIKey is PWZVVDCIFMXUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-14-15(19)16-8-9-17(14)11-13(18)10-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3,(H,16,19).
What are the key properties of 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one?
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one is sourced from PubChem (CID 63602203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).