ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate

C15H19FN2O3 — CID 110283992

IUPACethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1NCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C15H19FN2O3/c1-2-21-14(19)9-13-15(20)18(8-7-17-13)10-11-5-3-4-6-12(11)16/h3-6,13,17H,2,7-10H2,1H3
InChIKeyVMRVXKUJYCQWAH-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.08
Rot. Bonds5

About ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate

ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 110283992) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
PubChem CID110283992
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Nameethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1NCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C15H19FN2O3/c1-2-21-14(19)9-13-15(20)18(8-7-17-13)10-11-5-3-4-6-12(11)16/h3-6,13,17H,2,7-10H2,1H3
InChIKeyVMRVXKUJYCQWAH-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one
CID 55215575
ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride
CID 110284023
ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439
ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
CID 110283016
1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 102002003
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283814
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110283805
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
CID 59486375
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 70046324

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate (CID 110283992) is ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1NCCN(Cc2ccccc2F)C1=O.
What is the InChIKey of ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is VMRVXKUJYCQWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-21-14(19)9-13-15(20)18(8-7-17-13)10-11-5-3-4-6-12(11)16/h3-6,13,17H,2,7-10H2,1H3.
What are the key properties of ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 294.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 110283992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).