1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one

C18H24N2O4 — CID 45199411

IUPAC1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)C3CCOCC3)CC2C)c1
InChIInChI=1S/C18H24N2O4/c1-13-11-19(18(22)14-6-8-24-9-7-14)12-17(21)20(13)15-4-3-5-16(10-15)23-2/h3-5,10,13-14H,6-9,11-12H2,1-2H3
InChIKeyJSBXJARCFYNMAG-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.69
Rot. Bonds3

About 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one

1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one (PubChem CID 45199411) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
PubChem CID45199411
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)C3CCOCC3)CC2C)c1
InChIInChI=1S/C18H24N2O4/c1-13-11-19(18(22)14-6-8-24-9-7-14)12-17(21)20(13)15-4-3-5-16(10-15)23-2/h3-5,10,13-14H,6-9,11-12H2,1-2H3
InChIKeyJSBXJARCFYNMAG-UHFFFAOYSA-N
XLogP1.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 42371325
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
CID 25306547
methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate
CID 26401829
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
(6R)-6-[(3-methoxyphenyl)methoxy]-4-(oxane-4-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
CID 26138132
(6R)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330751
(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330746
(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 26325845
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
CID 42429759
(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 125173408
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one (CID 45199411) is 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one is COc1cccc(N2C(=O)CN(C(=O)C3CCOCC3)CC2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one?
The InChIKey is JSBXJARCFYNMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-11-19(18(22)14-6-8-24-9-7-14)12-17(21)20(13)15-4-3-5-16(10-15)23-2/h3-5,10,13-14H,6-9,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one?
1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 45199411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).