(3S)-3-ethyl-3-phenylpiperazin-2-one

C12H16N2O — CID 94410316

IUPAC(3S)-3-ethyl-3-phenylpiperazin-2-one
SMILESCC[C@@]1(c2ccccc2)NCCNC1=O
InChIInChI=1S/C12H16N2O/c1-2-12(10-6-4-3-5-7-10)11(15)13-8-9-14-12/h3-7,14H,2,8-9H2,1H3,(H,13,15)/t12-/m0/s1
InChIKeyOGNQRFDOLUWOEC-LBPRGKRZSA-N
MW204.27 g/mol
LogP1.01
Rot. Bonds2

About (3S)-3-ethyl-3-phenylpiperazin-2-one

(3S)-3-ethyl-3-phenylpiperazin-2-one (PubChem CID 94410316) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3S)-3-ethyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-3-phenylpiperazin-2-one
PubChem CID94410316
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3S)-3-ethyl-3-phenylpiperazin-2-one
SMILESCC[C@@]1(c2ccccc2)NCCNC1=O
InChIInChI=1S/C12H16N2O/c1-2-12(10-6-4-3-5-7-10)11(15)13-8-9-14-12/h3-7,14H,2,8-9H2,1H3,(H,13,15)/t12-/m0/s1
InChIKeyOGNQRFDOLUWOEC-LBPRGKRZSA-N
XLogP1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-3-ethylpiperazin-2-one
CID 62352117
3-benzyl-3-phenylpiperazin-2-one
CID 62352459
(3S)-3-methyl-3-phenylpiperazin-2-one
CID 94410308
(NE)-N-(2-ethyl-2-phenylpyrrolidin-3-ylidene)hydroxylamine
CID 121009128
5-(3-methylbutyl)-5-phenylimidazolidin-4-one
CID 135155756
3-cyclopropyl-3-phenylpiperazin-2-one
CID 62351226
5-ethyl-1-methyl-5-phenylimidazolidin-4-one
CID 121012386
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
4-ethyl-4-phenylpyrrolidin-2-one
CID 66107809
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one
CID 21448541
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-3-phenylpiperazin-2-one?
The IUPAC name of (3S)-3-ethyl-3-phenylpiperazin-2-one (CID 94410316) is (3S)-3-ethyl-3-phenylpiperazin-2-one.
What is the SMILES notation for (3S)-3-ethyl-3-phenylpiperazin-2-one?
The canonical SMILES for (3S)-3-ethyl-3-phenylpiperazin-2-one is CC[C@@]1(c2ccccc2)NCCNC1=O.
What is the InChIKey of (3S)-3-ethyl-3-phenylpiperazin-2-one?
The InChIKey is OGNQRFDOLUWOEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-12(10-6-4-3-5-7-10)11(15)13-8-9-14-12/h3-7,14H,2,8-9H2,1H3,(H,13,15)/t12-/m0/s1.
What are the key properties of (3S)-3-ethyl-3-phenylpiperazin-2-one?
(3S)-3-ethyl-3-phenylpiperazin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 94410316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).