methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate

C13H25N3O3 — CID 78984019

IUPACmethyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-11(13(18)14(2)3)16-9-7-15(8-10-16)6-5-12(17)19-4/h11H,5-10H2,1-4H3
InChIKeyGINWZDOFQVRARQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.36
Rot. Bonds5

About methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate

methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate (PubChem CID 78984019) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
PubChem CID78984019
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namemethyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-11(13(18)14(2)3)16-9-7-15(8-10-16)6-5-12(17)19-4/h11H,5-10H2,1-4H3
InChIKeyGINWZDOFQVRARQ-UHFFFAOYSA-N
XLogP-0.36
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
CID 43522466
2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 43252622
ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate
CID 115537131
methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate
CID 78971806
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
methyl 3-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]propanoate
CID 169448717
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate (CID 78984019) is methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(C(C)C(=O)N(C)C)CC1.
What is the InChIKey of methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate?
The InChIKey is GINWZDOFQVRARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11(13(18)14(2)3)16-9-7-15(8-10-16)6-5-12(17)19-4/h11H,5-10H2,1-4H3.
What are the key properties of methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate?
methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate has a molecular weight of 271.36 g/mol, XLogP of -0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate is sourced from PubChem (CID 78984019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).