1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone

C23H22FN3O — CID 124961135

IUPAC1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H22FN3O/c24-19-7-5-6-17(14-19)21-11-10-18(16-26-21)22-9-2-4-13-27(22)23(28)15-20-8-1-3-12-25-20/h1,3,5-8,10-12,14,16,22H,2,4,9,13,15H2/t22-/m0/s1
InChIKeyGZKDPKNOCWZRFF-QFIPXVFZSA-N
MW375.45 g/mol
LogP4.58
Rot. Bonds4

About 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone

1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 124961135) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID124961135
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H22FN3O/c24-19-7-5-6-17(14-19)21-11-10-18(16-26-21)22-9-2-4-13-27(22)23(28)15-20-8-1-3-12-25-20/h1,3,5-8,10-12,14,16,22H,2,4,9,13,15H2/t22-/m0/s1
InChIKeyGZKDPKNOCWZRFF-QFIPXVFZSA-N
XLogP4.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125002811
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110253122
1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 110130776
3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125009925
2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
CID 124995760
1-[(2S)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 136891343
1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 127252050
(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 42522383
2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
2-(1H-imidazol-5-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 99988134
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533
2-pyridin-2-yl-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818185

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone (CID 124961135) is 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is GZKDPKNOCWZRFF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-19-7-5-6-17(14-19)21-11-10-18(16-26-21)22-9-2-4-13-27(22)23(28)15-20-8-1-3-12-25-20/h1,3,5-8,10-12,14,16,22H,2,4,9,13,15H2/t22-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 375.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 124961135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).