1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone

C22H23FN2O3 — CID 144819043

IUPAC1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C4CC4)cc3)C(F)C2)cn1
InChIInChI=1S/C22H23FN2O3/c1-14(26)20-9-6-17(12-24-20)22(27)25-11-10-21(19(23)13-25)28-18-7-4-16(5-8-18)15-2-3-15/h4-9,12,15,19,21H,2-3,10-11,13H2,1H3/t19?,21-/m0/s1
InChIKeyKAGAAYJJAOCYMI-QWAKEFERSA-N
MW382.44 g/mol
LogP3.79
Rot. Bonds5

About 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone

1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone (PubChem CID 144819043) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone
PubChem CID144819043
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C4CC4)cc3)C(F)C2)cn1
InChIInChI=1S/C22H23FN2O3/c1-14(26)20-9-6-17(12-24-20)22(27)25-11-10-21(19(23)13-25)28-18-7-4-16(5-8-18)15-2-3-15/h4-9,12,15,19,21H,2-3,10-11,13H2,1H3/t19?,21-/m0/s1
InChIKeyKAGAAYJJAOCYMI-QWAKEFERSA-N
XLogP3.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone with MolForge

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Related Compounds

4-[[4-[2-[5-[(3S,4S)-3-fluoro-4-(4-isocyanophenoxy)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 159746502
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid
CID 79117582
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(6-ethoxy-3-pyridinyl)-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99876631
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710576
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137424
(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261843
3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide
CID 171681569
5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078417

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone (CID 144819043) is 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone is CC(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C4CC4)cc3)C(F)C2)cn1.
What is the InChIKey of 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone?
The InChIKey is KAGAAYJJAOCYMI-QWAKEFERSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-14(26)20-9-6-17(12-24-20)22(27)25-11-10-21(19(23)13-25)28-18-7-4-16(5-8-18)15-2-3-15/h4-9,12,15,19,21H,2-3,10-11,13H2,1H3/t19?,21-/m0/s1.
What are the key properties of 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone?
1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone has a molecular weight of 382.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4S)-4-(4-cyclopropylphenoxy)-3-fluoropiperidine-1-carbonyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 144819043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).