methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate

C19H25N3O8S — CID 2422730

IUPACmethyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H25N3O8S/c1-28-15-4-3-13(11-16(15)31(26,27)21-7-9-30-10-8-21)19(25)22-6-5-20-18(24)14(22)12-17(23)29-2/h3-4,11,14H,5-10,12H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyITINWZCUHKAIEU-CQSZACIVSA-N
MW455.49 g/mol
LogP-0.78
Rot. Bonds6

About methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate

methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 2422730) has the molecular formula C19H25N3O8S and a molecular weight of 455.49 g/mol. Its IUPAC name is methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID2422730
Molecular FormulaC19H25N3O8S
Molecular Weight455.49 g/mol
Exact Mass455.14
IUPAC Namemethyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H25N3O8S/c1-28-15-4-3-13(11-16(15)31(26,27)21-7-9-30-10-8-21)19(25)22-6-5-20-18(24)14(22)12-17(23)29-2/h3-4,11,14H,5-10,12H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyITINWZCUHKAIEU-CQSZACIVSA-N
XLogP-0.78
TPSA131.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-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

methyl 2-[1-(3-chloro-4,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 43011903
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631968
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2431498
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 9296611
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26003172
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 17474274
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
[1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949051
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate (CID 2422730) is methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate is COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is ITINWZCUHKAIEU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O8S/c1-28-15-4-3-13(11-16(15)31(26,27)21-7-9-30-10-8-21)19(25)22-6-5-20-18(24)14(22)12-17(23)29-2/h3-4,11,14H,5-10,12H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 455.49 g/mol, XLogP of -0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 2422730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).