methyl 3-(4-propanoylpiperazin-1-yl)propanoate

C11H20N2O3 — CID 78984771

IUPACmethyl 3-(4-propanoylpiperazin-1-yl)propanoate
SMILESCCC(=O)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C11H20N2O3/c1-3-10(14)13-8-6-12(7-9-13)5-4-11(15)16-2/h3-9H2,1-2H3
InChIKeyFKADKXOPNMGCKJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.10
Rot. Bonds4

About methyl 3-(4-propanoylpiperazin-1-yl)propanoate

methyl 3-(4-propanoylpiperazin-1-yl)propanoate (PubChem CID 78984771) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-(4-propanoylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-propanoylpiperazin-1-yl)propanoate
PubChem CID78984771
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-(4-propanoylpiperazin-1-yl)propanoate
SMILESCCC(=O)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C11H20N2O3/c1-3-10(14)13-8-6-12(7-9-13)5-4-11(15)16-2/h3-9H2,1-2H3
InChIKeyFKADKXOPNMGCKJ-UHFFFAOYSA-N
XLogP0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-propanoylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-propanoylpiperazin-1-yl)propanoate (CID 78984771) is methyl 3-(4-propanoylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-propanoylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-propanoylpiperazin-1-yl)propanoate is CCC(=O)N1CCN(CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-(4-propanoylpiperazin-1-yl)propanoate?
The InChIKey is FKADKXOPNMGCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-10(14)13-8-6-12(7-9-13)5-4-11(15)16-2/h3-9H2,1-2H3.
What are the key properties of methyl 3-(4-propanoylpiperazin-1-yl)propanoate?
methyl 3-(4-propanoylpiperazin-1-yl)propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-propanoylpiperazin-1-yl)propanoate is sourced from PubChem (CID 78984771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).