oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate

C18H22F2N2O4 — CID 110283900

IUPACoxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESO=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)OCC1CCCO1
InChIInChI=1S/C18H22F2N2O4/c19-13-6-12(7-14(20)8-13)10-22-4-3-21-16(18(22)24)9-17(23)26-11-15-2-1-5-25-15/h6-8,15-16,21H,1-5,9-11H2
InChIKeyOARDIIAEQFNVFA-UHFFFAOYSA-N
MW368.38 g/mol
LogP1.38
Rot. Bonds6

About oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate

oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 110283900) has the molecular formula C18H22F2N2O4 and a molecular weight of 368.38 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
PubChem CID110283900
Molecular FormulaC18H22F2N2O4
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Nameoxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESO=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)OCC1CCCO1
InChIInChI=1S/C18H22F2N2O4/c19-13-6-12(7-14(20)8-13)10-22-4-3-21-16(18(22)24)9-17(23)26-11-15-2-1-5-25-15/h6-8,15-16,21H,1-5,9-11H2
InChIKeyOARDIIAEQFNVFA-UHFFFAOYSA-N
XLogP1.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
CID 110283312
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride
CID 110283945
1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283912
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
CID 110283954
N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
CID 110282877
N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
CID 110282833
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide
CID 110282899
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride
CID 110282902
ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
CID 110283963
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide;hydrochloride
CID 110282898
tert-butyl (2R)-3-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazine-1-carboxylate
CID 7425635

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate (CID 110283900) is oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate is O=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is OARDIIAEQFNVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O4/c19-13-6-12(7-14(20)8-13)10-22-4-3-21-16(18(22)24)9-17(23)26-11-15-2-1-5-25-15/h6-8,15-16,21H,1-5,9-11H2.
What are the key properties of oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 368.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 110283900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).