propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate

C18H26N2O5 — CID 7248067

IUPACpropyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H26N2O5/c1-4-7-25-17(21)11-16-18(22)19-5-6-20(16)12-13-8-14(23-2)10-15(9-13)24-3/h8-10,16H,4-7,11-12H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyNBEYANNTSSDLHG-INIZCTEOSA-N
MW350.42 g/mol
LogP1.35
Rot. Bonds8

About propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 7248067) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
PubChem CID7248067
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namepropyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C18H26N2O5/c1-4-7-25-17(21)11-16-18(22)19-5-6-20(16)12-13-8-14(23-2)10-15(9-13)24-3/h8-10,16H,4-7,11-12H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyNBEYANNTSSDLHG-INIZCTEOSA-N
XLogP1.35
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 42527548
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 25292413
(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
CID 25365013
N-cyclohexyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24793235
propyl 2-[1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819589
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
methyl 1-[2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 25310065
methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 45221729
2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45216925
ethyl 2-[1-[(3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2996935
propyl 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate
CID 7248064
propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate
CID 7248066

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate (CID 7248067) is propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1.
What is the InChIKey of propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is NBEYANNTSSDLHG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-4-7-25-17(21)11-16-18(22)19-5-6-20(16)12-13-8-14(23-2)10-15(9-13)24-3/h8-10,16H,4-7,11-12H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 350.42 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 7248067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).