ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate

C15H16Cl2N2O4 — CID 3840506

IUPACethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O4/c1-2-23-13(20)8-12-14(21)18-5-6-19(12)15(22)9-3-4-10(16)11(17)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,18,21)
InChIKeyILAHQIAKGLWUPT-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.89
Rot. Bonds4

About ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate

ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 3840506) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID3840506
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC Nameethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O4/c1-2-23-13(20)8-12-14(21)18-5-6-19(12)15(22)9-3-4-10(16)11(17)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,18,21)
InChIKeyILAHQIAKGLWUPT-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lorglumide
CID 3960
Loxiglumide
CID 60182
Dexloxiglumide
CID 65937
Lorglumide Sodium
CID 23681233
4-[(3,4-Dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoate
CID 3959
3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 750384
N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245045
Ethyl 2-[1-(2,4-dichlorobenzoyl)-3-oxo-2-piperazinyl]acetate
CID 3840508
Lorglumide, (R)-
CID 13605417
(S)-lorglumide sodium
CID 23684984
(2R)-1-benzoyl-N-[(3,4-dichlorophenyl)methyl]piperazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44535842
3,4-dichloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 2575671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate (CID 3840506) is ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is ILAHQIAKGLWUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c1-2-23-13(20)8-12-14(21)18-5-6-19(12)15(22)9-3-4-10(16)11(17)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,18,21).
What are the key properties of ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate?
ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 359.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(3,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 3840506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).