1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one

C18H23F2N3O2 — CID 110283912

IUPAC1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
SMILESO=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)N1CCCCC1
InChIInChI=1S/C18H23F2N3O2/c19-14-8-13(9-15(20)10-14)12-23-7-4-21-16(18(23)25)11-17(24)22-5-2-1-3-6-22/h8-10,16,21H,1-7,11-12H2
InChIKeyUXEBOAIWGDXVMN-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.67
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one

1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one (PubChem CID 110283912) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
PubChem CID110283912
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
SMILESO=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)N1CCCCC1
InChIInChI=1S/C18H23F2N3O2/c19-14-8-13(9-15(20)10-14)12-23-7-4-21-16(18(23)25)11-17(24)22-5-2-1-3-6-22/h8-10,16,21H,1-7,11-12H2
InChIKeyUXEBOAIWGDXVMN-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride
CID 110283945
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110283976
3-[2-(azepan-1-yl)-2-oxoethyl]-1-[(3-bromophenyl)methyl]piperazin-2-one;hydrochloride
CID 110283633
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283814
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
CID 110283954
3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
CID 110283438
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110283805
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
oxolan-2-ylmethyl 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 110283900
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282452

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one (CID 110283912) is 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one is O=C(CC1NCCN(Cc2cc(F)cc(F)c2)C1=O)N1CCCCC1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one?
The InChIKey is UXEBOAIWGDXVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c19-14-8-13(9-15(20)10-14)12-23-7-4-21-16(18(23)25)11-17(24)22-5-2-1-3-6-22/h8-10,16,21H,1-7,11-12H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one?
1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one has a molecular weight of 351.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one is sourced from PubChem (CID 110283912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).