2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone

C23H35FN2O2 — CID 123430480

IUPAC2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccc(OCCCCCC2CCNCC2)cc1F)N1CCCCC1
InChIInChI=1S/C23H35FN2O2/c24-22-18-21(28-16-6-1-3-7-19-10-12-25-13-11-19)9-8-20(22)17-23(27)26-14-4-2-5-15-26/h8-9,18-19,25H,1-7,10-17H2
InChIKeyQGHRVTZJUYMOEB-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.32
Rot. Bonds9

About 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone

2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone (PubChem CID 123430480) has the molecular formula C23H35FN2O2 and a molecular weight of 390.54 g/mol. Its IUPAC name is 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone
PubChem CID123430480
Molecular FormulaC23H35FN2O2
Molecular Weight390.54 g/mol
Exact Mass390.27
IUPAC Name2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccc(OCCCCCC2CCNCC2)cc1F)N1CCCCC1
InChIInChI=1S/C23H35FN2O2/c24-22-18-21(28-16-6-1-3-7-19-10-12-25-13-11-19)9-8-20(22)17-23(27)26-14-4-2-5-15-26/h8-9,18-19,25H,1-7,10-17H2
InChIKeyQGHRVTZJUYMOEB-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]-2-fluorophenyl]-1-(1,4-diazepan-1-yl)ethanone
CID 171744289
2-[2,6-difluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-(3-fluoroazetidin-1-yl)ethanone
CID 123294445
2-[2-chloro-4-(4-piperidin-4-ylbutoxy)phenyl]-1-(3-methoxyazetidin-1-yl)ethanone
CID 123284650
[2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71219283
2-[4-[3-[2-(azepan-4-yl)cyclopropyl]propoxy]-2-fluorophenyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethanone
CID 123242340
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-[3-[1-[2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]acetyl]azetidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 123806956
2-[4-(2-cyclopropylethoxy)-2-fluorophenyl]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 123564863
2-[4-[3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]-2-fluorophenyl]-1-[3-[4-hydroxy-3,3-bis(hydroxymethyl)butyl]azetidin-1-yl]ethanone
CID 165059659
2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 56923362
4-[3-(2,4-difluorophenyl)propyl]piperidine
CID 21180653
methyl 2-[2-fluoro-4-[3-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]propoxy]phenyl]acetate
CID 165404534
1-(azetidin-1-yl)-2-[4-[2-[2-[5-(5-chloro-3-ethyl-2-pyridinyl)cyclononyl]cyclopropyl]ethoxy]-2-fluorophenyl]ethanone
CID 123239544

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone (CID 123430480) is 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone is O=C(Cc1ccc(OCCCCCC2CCNCC2)cc1F)N1CCCCC1.
What is the InChIKey of 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone?
The InChIKey is QGHRVTZJUYMOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN2O2/c24-22-18-21(28-16-6-1-3-7-19-10-12-25-13-11-19)9-8-20(22)17-23(27)26-14-4-2-5-15-26/h8-9,18-19,25H,1-7,10-17H2.
What are the key properties of 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone?
2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone has a molecular weight of 390.54 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 123430480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).