3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one

C16H20N2O2 — CID 63600480

IUPAC3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H20N2O2/c1-2-13-14(19)17-10-11-18(13)15(20)16(8-9-16)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,19)
InChIKeyIPUWEKVZMKWRMS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.46
Rot. Bonds3

About 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one

3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one (PubChem CID 63600480) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one
PubChem CID63600480
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H20N2O2/c1-2-13-14(19)17-10-11-18(13)15(20)16(8-9-16)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,19)
InChIKeyIPUWEKVZMKWRMS-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one
CID 92633607
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
CID 110025296
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 125435737
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325275
(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide
CID 95759828
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one (CID 63600480) is 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one?
The InChIKey is IPUWEKVZMKWRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-13-14(19)17-10-11-18(13)15(20)16(8-9-16)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,19).
What are the key properties of 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one?
3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one is sourced from PubChem (CID 63600480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).