1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one

C26H27FN2O — CID 110249457

IUPAC1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C26H27FN2O/c27-23-11-4-9-21(17-23)18-24-12-5-13-25(28-24)22-10-6-16-29(19-22)26(30)15-14-20-7-2-1-3-8-20/h1-5,7-9,11-13,17,22H,6,10,14-16,18-19H2
InChIKeyGBJKGESVPDCPLV-UHFFFAOYSA-N
MW402.51 g/mol
LogP5.15
Rot. Bonds6

About 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 110249457) has the molecular formula C26H27FN2O and a molecular weight of 402.51 g/mol. Its IUPAC name is 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID110249457
Molecular FormulaC26H27FN2O
Molecular Weight402.51 g/mol
Exact Mass402.21
IUPAC Name1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C26H27FN2O/c27-23-11-4-9-21(17-23)18-24-12-5-13-25(28-24)22-10-6-16-29(19-22)26(30)15-14-20-7-2-1-3-8-20/h1-5,7-9,11-13,17,22H,6,10,14-16,18-19H2
InChIKeyGBJKGESVPDCPLV-UHFFFAOYSA-N
XLogP5.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.51
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110249660
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95809691
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809016
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 110249457) is 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1.
What is the InChIKey of 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is GBJKGESVPDCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O/c27-23-11-4-9-21(17-23)18-24-12-5-13-25(28-24)22-10-6-16-29(19-22)26(30)15-14-20-7-2-1-3-8-20/h1-5,7-9,11-13,17,22H,6,10,14-16,18-19H2.
What are the key properties of 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 402.51 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110249457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).