4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one

C17H24N2O4 — CID 70753862

IUPAC4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCCC(OC)C(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1
InChIInChI=1S/C17H24N2O4/c1-4-15(23-3)17(21)19-9-8-18(16(20)12-19)11-13-6-5-7-14(10-13)22-2/h5-7,10,15H,4,8-9,11-12H2,1-3H3
InChIKeyWFPPBXJASXWLKP-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.29
Rot. Bonds6

About 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one

4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 70753862) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
PubChem CID70753862
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCCC(OC)C(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1
InChIInChI=1S/C17H24N2O4/c1-4-15(23-3)17(21)19-9-8-18(16(20)12-19)11-13-6-5-7-14(10-13)22-2/h5-7,10,15H,4,8-9,11-12H2,1-3H3
InChIKeyWFPPBXJASXWLKP-UHFFFAOYSA-N
XLogP1.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
1-[2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70754693
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 70718784
4-[(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carbonyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 133119416
4-[2-(5-aminotetrazol-1-yl)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 86284780
1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
CID 118784345
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
(2R)-2-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
CID 97191045
4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 126423329
1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 45243624
1-[(3-methoxyphenyl)methyl]-4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-2-one
CID 171386257

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one (CID 70753862) is 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one is CCC(OC)C(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1.
What is the InChIKey of 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is WFPPBXJASXWLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-15(23-3)17(21)19-9-8-18(16(20)12-19)11-13-6-5-7-14(10-13)22-2/h5-7,10,15H,4,8-9,11-12H2,1-3H3.
What are the key properties of 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 70753862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).