2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

C26H32FN3O2 — CID 124977722

IUPAC2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC1(C(=O)N2CCC[C@H](Cc3cccnc3)C2)CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H32FN3O2/c1-26(10-14-29(15-11-26)24(31)17-20-6-8-23(27)9-7-20)25(32)30-13-3-5-22(19-30)16-21-4-2-12-28-18-21/h2,4,6-9,12,18,22H,3,5,10-11,13-17,19H2,1H3/t22-/m1/s1
InChIKeyLOQHXURZKQLYNF-JOCHJYFZSA-N
MW437.56 g/mol
LogP3.87
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 124977722) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID124977722
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC1(C(=O)N2CCC[C@H](Cc3cccnc3)C2)CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H32FN3O2/c1-26(10-14-29(15-11-26)24(31)17-20-6-8-23(27)9-7-20)25(32)30-13-3-5-22(19-30)16-21-4-2-12-28-18-21/h2,4,6-9,12,18,22H,3,5,10-11,13-17,19H2,1H3/t22-/m1/s1
InChIKeyLOQHXURZKQLYNF-JOCHJYFZSA-N
XLogP3.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652412
[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652422
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
(2-cyclopropylpyrimidin-5-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110103373
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
2-(4-fluorophenyl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 110106592
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 124977722) is 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is CC1(C(=O)N2CCC[C@H](Cc3cccnc3)C2)CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is LOQHXURZKQLYNF-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-26(10-14-29(15-11-26)24(31)17-20-6-8-23(27)9-7-20)25(32)30-13-3-5-22(19-30)16-21-4-2-12-28-18-21/h2,4,6-9,12,18,22H,3,5,10-11,13-17,19H2,1H3/t22-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 437.56 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124977722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).