methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate

C12H23N3O3 — CID 94526452

IUPACmethyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-10(12(17)18-4)15-7-5-14(6-8-15)9-11(16)13(2)3/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyBFWMFCJGZHCGRX-SNVBAGLBSA-N
MW257.33 g/mol
LogP-0.75
Rot. Bonds4

About methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate

methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate (PubChem CID 94526452) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
PubChem CID94526452
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Namemethyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-10(12(17)18-4)15-7-5-14(6-8-15)9-11(16)13(2)3/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyBFWMFCJGZHCGRX-SNVBAGLBSA-N
XLogP-0.75
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate 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

N-carbamoyl-2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]propanamide
CID 46444317
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
CID 60965667
(2R)-N-cyclohexyl-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30988484
ethyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 40525482
ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 3788456
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
N,N-dimethyl-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 112683880
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 112723927
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
(2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30956481
methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
CID 78984019

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate (CID 94526452) is methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate is COC(=O)[C@@H](C)N1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
The InChIKey is BFWMFCJGZHCGRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(12(17)18-4)15-7-5-14(6-8-15)9-11(16)13(2)3/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate has a molecular weight of 257.33 g/mol, XLogP of -0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 94526452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).