1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one

C17H23F2N3O2 — CID 118648223

IUPAC1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCOc1cc(F)c(N2CCNCC2)c(F)c1
InChIInChI=1S/C17H23F2N3O2/c18-14-11-13(24-10-9-21-6-2-1-3-16(21)23)12-15(19)17(14)22-7-4-20-5-8-22/h11-12,20H,1-10H2
InChIKeyNIRWUJHIGOCMEV-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.77
Rot. Bonds5

About 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one

1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one (PubChem CID 118648223) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one
PubChem CID118648223
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCOc1cc(F)c(N2CCNCC2)c(F)c1
InChIInChI=1S/C17H23F2N3O2/c18-14-11-13(24-10-9-21-6-2-1-3-16(21)23)12-15(19)17(14)22-7-4-20-5-8-22/h11-12,20H,1-10H2
InChIKeyNIRWUJHIGOCMEV-UHFFFAOYSA-N
XLogP1.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2,6-difluoro-4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]piperazin-1-yl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 175109014
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;2,2,2-trifluoroacetic acid
CID 166758997
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
3-[2-(2-oxoazocan-1-yl)ethoxy]benzonitrile
CID 43289123
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
CID 129149337
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine
CID 118648269
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one (CID 118648223) is 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one is O=C1CCCCN1CCOc1cc(F)c(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one?
The InChIKey is NIRWUJHIGOCMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c18-14-11-13(24-10-9-21-6-2-1-3-16(21)23)12-15(19)17(14)22-7-4-20-5-8-22/h11-12,20H,1-10H2.
What are the key properties of 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one?
1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one has a molecular weight of 339.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluoro-4-piperazin-1-ylphenoxy)ethyl]piperidin-2-one is sourced from PubChem (CID 118648223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).