ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate

C16H20N2O5 — CID 24716088

IUPACethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc3c(c2)OCO3)C(=O)C1C
InChIInChI=1S/C16H20N2O5/c1-3-21-15(19)9-17-6-7-18(16(20)11(17)2)12-4-5-13-14(8-12)23-10-22-13/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyPSLPZHCMQBCTIU-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.02
Rot. Bonds4

About ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate

ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate (PubChem CID 24716088) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate
PubChem CID24716088
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc3c(c2)OCO3)C(=O)C1C
InChIInChI=1S/C16H20N2O5/c1-3-21-15(19)9-17-6-7-18(16(20)11(17)2)12-4-5-13-14(8-12)23-10-22-13/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyPSLPZHCMQBCTIU-UHFFFAOYSA-N
XLogP1.02
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 93319686
ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24715814
ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate
CID 93321373
(3S)-1-(1,3-benzodioxol-5-yl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 93322496
ethyl 2-[4-(2-fluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716589
ethyl 2-[(2R)-4-(2-fluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 93321113
ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716098
1-(1,3-benzodioxol-5-yl)-4-(3-bromobenzoyl)-3-methylpiperazin-2-one
CID 46155649
1-(1,3-benzodioxol-5-yl)-4-methylpiperazine-2,3-dione
CID 117026437
ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetate
CID 791345
1-(1,3-benzodioxol-5-yl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 46036109
1-(1,3-benzodioxol-5-yl)-3-methylpiperazin-2-one
CID 24716105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate (CID 24716088) is ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccc3c(c2)OCO3)C(=O)C1C.
What is the InChIKey of ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The InChIKey is PSLPZHCMQBCTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-3-21-15(19)9-17-6-7-18(16(20)11(17)2)12-4-5-13-14(8-12)23-10-22-13/h4-5,8,11H,3,6-7,9-10H2,1-2H3.
What are the key properties of ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate?
ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate has a molecular weight of 320.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 24716088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).