(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one

C18H25N3O5 — CID 25365013

IUPAC(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
SMILESCOc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCO2)cc(OC)c1
InChIInChI=1S/C18H25N3O5/c1-24-14-8-13(9-15(10-14)25-2)12-20-6-4-19-18(23)16(20)11-17(22)21-5-3-7-26-21/h8-10,16H,3-7,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyYHHRGHSHTKIUFN-INIZCTEOSA-N
MW363.41 g/mol
LogP0.56
Rot. Bonds6

About (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one

(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 25365013) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
PubChem CID25365013
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
SMILESCOc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCO2)cc(OC)c1
InChIInChI=1S/C18H25N3O5/c1-24-14-8-13(9-15(10-14)25-2)12-20-6-4-19-18(23)16(20)11-17(22)21-5-3-7-26-21/h8-10,16H,3-7,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyYHHRGHSHTKIUFN-INIZCTEOSA-N
XLogP0.56
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 25292413
4-[(4-methylphenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
CID 45211142
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 42527548
4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
CID 45242447
(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one
CID 42392537
methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 45221729
methyl 1-[2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 25310065
propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 7248067
N-cyclohexyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24793235
2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45216925
2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide
CID 45174697
(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95711036

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one (CID 25365013) is (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one is COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCO2)cc(OC)c1.
What is the InChIKey of (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is YHHRGHSHTKIUFN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-24-14-8-13(9-15(10-14)25-2)12-20-6-4-19-18(23)16(20)11-17(22)21-5-3-7-26-21/h8-10,16H,3-7,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1.
What are the key properties of (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one?
(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 363.41 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 25365013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).