methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate

C11H21N3O2 — CID 66197137

IUPACmethyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(N2CCNCC2)C1
InChIInChI=1S/C11H21N3O2/c1-16-11(15)2-5-13-8-10(9-13)14-6-3-12-4-7-14/h10,12H,2-9H2,1H3
InChIKeyZDSYPXFXZHCSMP-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.86
Rot. Bonds4

About methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate

methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate (PubChem CID 66197137) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
PubChem CID66197137
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Namemethyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(N2CCNCC2)C1
InChIInChI=1S/C11H21N3O2/c1-16-11(15)2-5-13-8-10(9-13)14-6-3-12-4-7-14/h10,12H,2-9H2,1H3
InChIKeyZDSYPXFXZHCSMP-UHFFFAOYSA-N
XLogP-0.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-piperazin-1-ylpyrrolidin-1-yl)butanoate
CID 112739454
N-cyclopropyl-3-(3-piperazin-1-ylazetidin-1-yl)propanamide
CID 66195790
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
CID 95154053
methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
CID 90717015
methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212
2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
CID 66197330
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine
CID 112590921
1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
CID 103181610
methyl 3-[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]propanoate
CID 129374649
methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66196191
N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197141
4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one
CID 113382211

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate?
The IUPAC name of methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate (CID 66197137) is methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate is COC(=O)CCN1CC(N2CCNCC2)C1.
What is the InChIKey of methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate?
The InChIKey is ZDSYPXFXZHCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-16-11(15)2-5-13-8-10(9-13)14-6-3-12-4-7-14/h10,12H,2-9H2,1H3.
What are the key properties of methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate?
methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate has a molecular weight of 227.31 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate is sourced from PubChem (CID 66197137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).