[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone

C23H28FN3O2 — CID 166313931

IUPAC[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1C1CCNCC1)N1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C23H28FN3O2/c24-21-6-2-1-4-18(21)16-29-19-9-14-27(15-10-19)23(28)20-5-3-11-26-22(20)17-7-12-25-13-8-17/h1-6,11,17,19,25H,7-10,12-16H2
InChIKeyPTABLYCJSUXZED-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.51
Rot. Bonds5

About [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone

[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone (PubChem CID 166313931) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone
PubChem CID166313931
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1C1CCNCC1)N1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C23H28FN3O2/c24-21-6-2-1-4-18(21)16-29-19-9-14-27(15-10-19)23(28)20-5-3-11-26-22(20)17-7-12-25-13-8-17/h1-6,11,17,19,25H,7-10,12-16H2
InChIKeyPTABLYCJSUXZED-UHFFFAOYSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
(2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 138003476
4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 127248642
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 71863399
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609
2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533829

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone (CID 166313931) is [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone is O=C(c1cccnc1C1CCNCC1)N1CCC(OCc2ccccc2F)CC1.
What is the InChIKey of [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone?
The InChIKey is PTABLYCJSUXZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-21-6-2-1-4-18(21)16-29-19-9-14-27(15-10-19)23(28)20-5-3-11-26-22(20)17-7-12-25-13-8-17/h1-6,11,17,19,25H,7-10,12-16H2.
What are the key properties of [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone?
[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone has a molecular weight of 397.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 166313931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).