1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one

C21H24N2O4 — CID 42847356

IUPAC1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccccc2OC)C(C)C1=O
InChIInChI=1S/C21H24N2O4/c1-4-27-19-12-8-6-10-17(19)23-14-13-22(15(2)20(23)24)21(25)16-9-5-7-11-18(16)26-3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyYEFNVUCMUPEXPU-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one

1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one (PubChem CID 42847356) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
PubChem CID42847356
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccccc2OC)C(C)C1=O
InChIInChI=1S/C21H24N2O4/c1-4-27-19-12-8-6-10-17(19)23-14-13-22(15(2)20(23)24)21(25)16-9-5-7-11-18(16)26-3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyYEFNVUCMUPEXPU-UHFFFAOYSA-N
XLogP2.97
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
(3S)-4-(3-bromobenzoyl)-1-(2-ethoxyphenyl)-3-methylpiperazin-2-one
CID 93114358
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322783
1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 24716334
4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24716235
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93323237
(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one
CID 93292659
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716597
4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 42847339
(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 93290812

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one (CID 42847356) is 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one is CCOc1ccccc1N1CCN(C(=O)c2ccccc2OC)C(C)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
The InChIKey is YEFNVUCMUPEXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-27-19-12-8-6-10-17(19)23-14-13-22(15(2)20(23)24)21(25)16-9-5-7-11-18(16)26-3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 42847356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).