methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate

C17H20N2O3 — CID 174422908

IUPACmethyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2cccc(-c3ccoc3)c2)CC1
InChIInChI=1S/C17H20N2O3/c1-21-17(20)12-18-6-8-19(9-7-18)16-4-2-3-14(11-16)15-5-10-22-13-15/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyRNOZLUZVTSORFT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.24
Rot. Bonds4

About methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate

methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate (PubChem CID 174422908) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate
PubChem CID174422908
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2cccc(-c3ccoc3)c2)CC1
InChIInChI=1S/C17H20N2O3/c1-21-17(20)12-18-6-8-19(9-7-18)16-4-2-3-14(11-16)15-5-10-22-13-15/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyRNOZLUZVTSORFT-UHFFFAOYSA-N
XLogP2.24
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]benzoate
CID 174360988
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
methyl 2-[4-(4-cyanophenyl)piperazin-1-yl]acetate
CID 19391362
ethyl 4-[3-[2-amino-4-(furan-3-yl)anilino]phenyl]piperazine-1-carboxylate
CID 22330021
2-methoxyethyl 3-amino-4-[3-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]anilino]benzoate
CID 22330051
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
ethane;methyl 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]acetate
CID 69265331

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate (CID 174422908) is methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(c2cccc(-c3ccoc3)c2)CC1.
What is the InChIKey of methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate?
The InChIKey is RNOZLUZVTSORFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-17(20)12-18-6-8-19(9-7-18)16-4-2-3-14(11-16)15-5-10-22-13-15/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate?
methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate has a molecular weight of 300.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(furan-3-yl)phenyl]piperazin-1-yl]acetate is sourced from PubChem (CID 174422908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).