2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide

C20H23N3O3 — CID 97113526

IUPAC2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide
SMILESCOc1cccc(N2C[C@H](Cc3ccccc3)N(CC(N)=O)CC2=O)c1
InChIInChI=1S/C20H23N3O3/c1-26-18-9-5-8-16(11-18)23-12-17(10-15-6-3-2-4-7-15)22(13-19(21)24)14-20(23)25/h2-9,11,17H,10,12-14H2,1H3,(H2,21,24)/t17-/m0/s1
InChIKeyXPSWSZISCAVIPR-KRWDZBQOSA-N
MW353.42 g/mol
LogP1.44
Rot. Bonds6

About 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide

2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide (PubChem CID 97113526) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide
PubChem CID97113526
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide
SMILESCOc1cccc(N2C[C@H](Cc3ccccc3)N(CC(N)=O)CC2=O)c1
InChIInChI=1S/C20H23N3O3/c1-26-18-9-5-8-16(11-18)23-12-17(10-15-6-3-2-4-7-15)22(13-19(21)24)14-20(23)25/h2-9,11,17H,10,12-14H2,1H3,(H2,21,24)/t17-/m0/s1
InChIKeyXPSWSZISCAVIPR-KRWDZBQOSA-N
XLogP1.44
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one
CID 70767727
[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea
CID 70736446
(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
CID 96578517
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90567182
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
CID 70738705
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
CID 70735507
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46424432
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenylbutan-2-yl)urea
CID 18564219

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide (CID 97113526) is 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide is COc1cccc(N2C[C@H](Cc3ccccc3)N(CC(N)=O)CC2=O)c1.
What is the InChIKey of 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide?
The InChIKey is XPSWSZISCAVIPR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-9-5-8-16(11-18)23-12-17(10-15-6-3-2-4-7-15)22(13-19(21)24)14-20(23)25/h2-9,11,17H,10,12-14H2,1H3,(H2,21,24)/t17-/m0/s1.
What are the key properties of 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide?
2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide is sourced from PubChem (CID 97113526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).