methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate

C14H14Cl2N2O4 — CID 2431498

IUPACmethyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O4/c1-22-12(19)7-11-13(20)17-2-3-18(11)14(21)8-4-9(15)6-10(16)5-8/h4-6,11H,2-3,7H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyUMTWSIONQMCFJI-LLVKDONJSA-N
MW345.18 g/mol
LogP1.50
Rot. Bonds3

About methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate

methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 2431498) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID2431498
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Namemethyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O4/c1-22-12(19)7-11-13(20)17-2-3-18(11)14(21)8-4-9(15)6-10(16)5-8/h4-6,11H,2-3,7H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyUMTWSIONQMCFJI-LLVKDONJSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62033494
methyl 2-[1-(3-chloro-4,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 43011903
methyl 2-[1-(5-chloropyridine-2-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 56873399
methyl 2-[1-(2,6-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 3994011
methyl 2-[1-[2-(4-chlorophenyl)sulfanylacetyl]-3-oxopiperazin-2-yl]acetate
CID 17036218
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
methyl 2-[(2R)-1-[(3-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231928
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2422730
methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 162634981
2-[(2R)-1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 6975965

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate (CID 2431498) is methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate is COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is UMTWSIONQMCFJI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c1-22-12(19)7-11-13(20)17-2-3-18(11)14(21)8-4-9(15)6-10(16)5-8/h4-6,11H,2-3,7H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 345.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 2431498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).