1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one

C23H26FNO3 — CID 16677782

IUPAC1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC(C(C)=O)(c2ccccc2)CC1
InChIInChI=1S/C23H26FNO3/c1-3-20(28-21-12-8-7-11-19(21)24)22(27)25-15-13-23(14-16-25,17(2)26)18-9-5-4-6-10-18/h4-12,20H,3,13-16H2,1-2H3
InChIKeyPTFWKILRZJSNTB-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.13
Rot. Bonds6

About 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one

1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one (PubChem CID 16677782) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one.

Molecular Properties

Compound Name1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
PubChem CID16677782
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC(C(C)=O)(c2ccccc2)CC1
InChIInChI=1S/C23H26FNO3/c1-3-20(28-21-12-8-7-11-19(21)24)22(27)25-15-13-23(14-16-25,17(2)26)18-9-5-4-6-10-18/h4-12,20H,3,13-16H2,1-2H3
InChIKeyPTFWKILRZJSNTB-UHFFFAOYSA-N
XLogP4.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 9173669
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 120808959
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one
CID 154846394
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
CID 125119092
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 124684153
2-(2-fluorophenoxy)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 136570836
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one?
The IUPAC name of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one (CID 16677782) is 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one.
What is the SMILES notation for 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one?
The canonical SMILES for 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one is CCC(Oc1ccccc1F)C(=O)N1CCC(C(C)=O)(c2ccccc2)CC1.
What is the InChIKey of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one?
The InChIKey is PTFWKILRZJSNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-3-20(28-21-12-8-7-11-19(21)24)22(27)25-15-13-23(14-16-25,17(2)26)18-9-5-4-6-10-18/h4-12,20H,3,13-16H2,1-2H3.
What are the key properties of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one?
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one has a molecular weight of 383.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one is sourced from PubChem (CID 16677782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).