2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone

C24H28FN3O3 — CID 110264227

IUPAC2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCCC(c2ccc(C(=O)N3CCCCC3)cn2)C1
InChIInChI=1S/C24H28FN3O3/c25-20-8-2-3-9-22(20)31-17-23(29)28-14-6-7-19(16-28)21-11-10-18(15-26-21)24(30)27-12-4-1-5-13-27/h2-3,8-11,15,19H,1,4-7,12-14,16-17H2
InChIKeyUIUJZKZGQMASCW-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.63
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110264227) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110264227
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCCC(c2ccc(C(=O)N3CCCCC3)cn2)C1
InChIInChI=1S/C24H28FN3O3/c25-20-8-2-3-9-22(20)31-17-23(29)28-14-6-7-19(16-28)21-11-10-18(15-26-21)24(30)27-12-4-1-5-13-27/h2-3,8-11,15,19H,1,4-7,12-14,16-17H2
InChIKeyUIUJZKZGQMASCW-UHFFFAOYSA-N
XLogP3.63
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 92621742
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
2-(2-fluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 110237560
1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 110093304
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
1-[(3S)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606897
2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110240019
1-[(3R)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606896
3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110264292
2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone
CID 90512384
(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone
CID 24771472

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone (CID 110264227) is 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone is O=C(COc1ccccc1F)N1CCCC(c2ccc(C(=O)N3CCCCC3)cn2)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is UIUJZKZGQMASCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-20-8-2-3-9-22(20)31-17-23(29)28-14-6-7-19(16-28)21-11-10-18(15-26-21)24(30)27-12-4-1-5-13-27/h2-3,8-11,15,19H,1,4-7,12-14,16-17H2.
What are the key properties of 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 425.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110264227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).