2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone

C20H23FN2O2 — CID 53151002

IUPAC2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-4-1-3-17(13-18)14-20(24)23-10-6-16(7-11-23)8-12-25-19-5-2-9-22-15-19/h1-5,9,13,15-16H,6-8,10-12,14H2
InChIKeyCXAUISLQHQNCJP-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.47
Rot. Bonds6

About 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone (PubChem CID 53151002) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
PubChem CID53151002
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-4-1-3-17(13-18)14-20(24)23-10-6-16(7-11-23)8-12-25-19-5-2-9-22-15-19/h1-5,9,13,15-16H,6-8,10-12,14H2
InChIKeyCXAUISLQHQNCJP-UHFFFAOYSA-N
XLogP3.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131642303
2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151004
1-[4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123138681
N-[(4-fluorophenyl)methyl]-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151043
2-(3-fluorophenyl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401045
(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
CID 53150992
1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 58347929
2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
oxalic acid;1-[4-[3-[2-(oxan-4-yl)ethoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 123342875
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
1-[4-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58348017

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone (CID 53151002) is 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCC(CCOc2cccnc2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The InChIKey is CXAUISLQHQNCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-4-1-3-17(13-18)14-20(24)23-10-6-16(7-11-23)8-12-25-19-5-2-9-22-15-19/h1-5,9,13,15-16H,6-8,10-12,14H2.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone has a molecular weight of 342.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53151002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).