methyl 2-(4-butanoylpiperazin-1-yl)acetate

C11H20N2O3 — CID 61238524

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

About methyl 2-(4-butanoylpiperazin-1-yl)acetate

methyl 2-(4-butanoylpiperazin-1-yl)acetate (PubChem CID 61238524) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-(4-butanoylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-butanoylpiperazin-1-yl)acetate
PubChem CID61238524
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-(4-butanoylpiperazin-1-yl)acetate
SMILESCCCC(=O)N1CCN(CC(=O)OC)CC1
InChIInChI=1S/C11H20N2O3/c1-3-4-10(14)13-7-5-12(6-8-13)9-11(15)16-2/h3-9H2,1-2H3
InChIKeyXELZXAYOQZZLKQ-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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Related Compounds

methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
CID 79323233
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate
CID 64611192
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
methyl 2-[4-(2-aminobutanoyl)piperazin-1-yl]acetate
CID 54874509
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
ethane;2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 143494242
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976
methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
CID 60953142
methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
CID 61029365
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-butanoylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-butanoylpiperazin-1-yl)acetate (CID 61238524) is methyl 2-(4-butanoylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-butanoylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-butanoylpiperazin-1-yl)acetate is CCCC(=O)N1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-(4-butanoylpiperazin-1-yl)acetate?
The InChIKey is XELZXAYOQZZLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-10(14)13-7-5-12(6-8-13)9-11(15)16-2/h3-9H2,1-2H3.
What are the key properties of methyl 2-(4-butanoylpiperazin-1-yl)acetate?
methyl 2-(4-butanoylpiperazin-1-yl)acetate 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 2-(4-butanoylpiperazin-1-yl)acetate is sourced from PubChem (CID 61238524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).