(5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

C24H30FN3O2 — CID 45235529

IUPAC(5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(C2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C24H30FN3O2/c1-30-23-8-7-19(25)15-22(23)24(29)18-5-4-12-28(16-18)21-9-13-27(14-10-21)17-20-6-2-3-11-26-20/h2-3,6-8,11,15,18,21H,4-5,9-10,12-14,16-17H2,1H3
InChIKeyXEAOYOOEWMDBDA-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.79
Rot. Bonds6

About (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

(5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 45235529) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID45235529
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name(5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(C2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C24H30FN3O2/c1-30-23-8-7-19(25)15-22(23)24(29)18-5-4-12-28(16-18)21-9-13-27(14-10-21)17-20-6-2-3-11-26-20/h2-3,6-8,11,15,18,21H,4-5,9-10,12-14,16-17H2,1H3
InChIKeyXEAOYOOEWMDBDA-UHFFFAOYSA-N
XLogP3.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 45235529) is (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is COc1ccc(F)cc1C(=O)C1CCCN(C2CCN(Cc3ccccn3)CC2)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is XEAOYOOEWMDBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-30-23-8-7-19(25)15-22(23)24(29)18-5-4-12-28(16-18)21-9-13-27(14-10-21)17-20-6-2-3-11-26-20/h2-3,6-8,11,15,18,21H,4-5,9-10,12-14,16-17H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 411.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 45235529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).