(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one

C17H24N2O5 — CID 97133156

IUPAC(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOCCOCC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C
InChIInChI=1S/C17H24N2O5/c1-13-17(21)19(14-4-6-15(23-3)7-5-14)9-8-18(13)16(20)12-24-11-10-22-2/h4-7,13H,8-12H2,1-3H3/t13-/m0/s1
InChIKeyNIQLSMNJGZLNGQ-ZDUSSCGKSA-N
MW336.39 g/mol
LogP0.92
Rot. Bonds7

About (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one

(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 97133156) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID97133156
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOCCOCC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C
InChIInChI=1S/C17H24N2O5/c1-13-17(21)19(14-4-6-15(23-3)7-5-14)9-8-18(13)16(20)12-24-11-10-22-2/h4-7,13H,8-12H2,1-3H3/t13-/m0/s1
InChIKeyNIQLSMNJGZLNGQ-ZDUSSCGKSA-N
XLogP0.92
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716731
1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one
CID 70744346
(3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97154681
1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716639
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one
CID 141490582
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
(2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide
CID 126434996
(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 126430620

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one (CID 97133156) is (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one is COCCOCC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C.
What is the InChIKey of (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is NIQLSMNJGZLNGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-13-17(21)19(14-4-6-15(23-3)7-5-14)9-8-18(13)16(20)12-24-11-10-22-2/h4-7,13H,8-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 336.39 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 97133156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).