2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone

C32H30FN3O3 — CID 159093164

IUPAC2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Cc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C32H30FN3O3/c1-22-2-11-28(12-3-22)39-29-14-16-36(17-15-29)32(38)30-13-7-25(21-35-30)31(37)19-24-6-10-27(34-20-24)18-23-4-8-26(33)9-5-23/h2-13,20-21,29H,14-19H2,1H3
InChIKeyKQGUIYIODZEURA-UHFFFAOYSA-N
MW523.61 g/mol
LogP5.62
Rot. Bonds8

About 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone

2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone (PubChem CID 159093164) has the molecular formula C32H30FN3O3 and a molecular weight of 523.61 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
PubChem CID159093164
Molecular FormulaC32H30FN3O3
Molecular Weight523.61 g/mol
Exact Mass523.23
IUPAC Name2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Cc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C32H30FN3O3/c1-22-2-11-28(12-3-22)39-29-14-16-36(17-15-29)32(38)30-13-7-25(21-35-30)31(37)19-24-6-10-27(34-20-24)18-23-4-8-26(33)9-5-23/h2-13,20-21,29H,14-19H2,1H3
InChIKeyKQGUIYIODZEURA-UHFFFAOYSA-N
XLogP5.62
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.61
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 160983492
(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 123261911
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676197
2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073326
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676198
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706
[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 46971656
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710372
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
4-[[4-[2-[6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 58073232
(3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one
CID 141370613

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone (CID 159093164) is 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone is Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Cc5ccc(F)cc5)nc4)cn3)CC2)cc1.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The InChIKey is KQGUIYIODZEURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O3/c1-22-2-11-28(12-3-22)39-29-14-16-36(17-15-29)32(38)30-13-7-25(21-35-30)31(37)19-24-6-10-27(34-20-24)18-23-4-8-26(33)9-5-23/h2-13,20-21,29H,14-19H2,1H3.
What are the key properties of 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone has a molecular weight of 523.61 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 159093164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).