(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one

C21H24N2O4 — CID 92613425

IUPAC(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1cc(OC)ccc1-c1ccc(OC)cc1
InChIInChI=1S/C21H24N2O4/c1-4-19-20(24)22-11-12-23(19)21(25)18-13-16(27-3)9-10-17(18)14-5-7-15(26-2)8-6-14/h5-10,13,19H,4,11-12H2,1-3H3,(H,22,24)/t19-/m0/s1
InChIKeyQDFQNSKIFFKRHC-IBGZPJMESA-N
MW368.43 g/mol
LogP2.72
Rot. Bonds5

About (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one

(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one (PubChem CID 92613425) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one
PubChem CID92613425
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1cc(OC)ccc1-c1ccc(OC)cc1
InChIInChI=1S/C21H24N2O4/c1-4-19-20(24)22-11-12-23(19)21(25)18-13-16(27-3)9-10-17(18)14-5-7-15(26-2)8-6-14/h5-10,13,19H,4,11-12H2,1-3H3,(H,22,24)/t19-/m0/s1
InChIKeyQDFQNSKIFFKRHC-IBGZPJMESA-N
XLogP2.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
CID 63601017
3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one
CID 172655604
(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one
CID 92627950
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one?
The IUPAC name of (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one (CID 92613425) is (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one.
What is the SMILES notation for (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one?
The canonical SMILES for (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one is CC[C@H]1C(=O)NCCN1C(=O)c1cc(OC)ccc1-c1ccc(OC)cc1.
What is the InChIKey of (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one?
The InChIKey is QDFQNSKIFFKRHC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-19-20(24)22-11-12-23(19)21(25)18-13-16(27-3)9-10-17(18)14-5-7-15(26-2)8-6-14/h5-10,13,19H,4,11-12H2,1-3H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one?
(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 92613425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).