[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone

C24H30FN3O2 — CID 91913453

IUPAC[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1OCC1CCCN(Cc2ccncc2F)C1)N1CCCCC1
InChIInChI=1S/C24H30FN3O2/c25-22-15-26-11-10-20(22)17-27-12-6-7-19(16-27)18-30-23-9-3-2-8-21(23)24(29)28-13-4-1-5-14-28/h2-3,8-11,15,19H,1,4-7,12-14,16-18H2
InChIKeyMDIKKPIYKVYNHD-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.14
Rot. Bonds6

About [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone

[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone (PubChem CID 91913453) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
PubChem CID91913453
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1OCC1CCCN(Cc2ccncc2F)C1)N1CCCCC1
InChIInChI=1S/C24H30FN3O2/c25-22-15-26-11-10-20(22)17-27-12-6-7-19(16-27)18-30-23-9-3-2-8-21(23)24(29)28-13-4-1-5-14-28/h2-3,8-11,15,19H,1,4-7,12-14,16-18H2
InChIKeyMDIKKPIYKVYNHD-UHFFFAOYSA-N
XLogP4.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone (CID 91913453) is [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone is O=C(c1ccccc1OCC1CCCN(Cc2ccncc2F)C1)N1CCCCC1.
What is the InChIKey of [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
The InChIKey is MDIKKPIYKVYNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c25-22-15-26-11-10-20(22)17-27-12-6-7-19(16-27)18-30-23-9-3-2-8-21(23)24(29)28-13-4-1-5-14-28/h2-3,8-11,15,19H,1,4-7,12-14,16-18H2.
What are the key properties of [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
[2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone has a molecular weight of 411.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91913453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).