[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone

C20H27FN2O3 — CID 47012409

IUPAC[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2cc(F)cc3c2OCOC3)CC1)N1CCCCC1
InChIInChI=1S/C20H27FN2O3/c21-18-10-16(19-17(11-18)13-25-14-26-19)12-22-8-4-15(5-9-22)20(24)23-6-2-1-3-7-23/h10-11,15H,1-9,12-14H2
InChIKeyWXPDVJMYJBFBSW-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.92
Rot. Bonds3

About [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 47012409) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID47012409
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2cc(F)cc3c2OCOC3)CC1)N1CCCCC1
InChIInChI=1S/C20H27FN2O3/c21-18-10-16(19-17(11-18)13-25-14-26-19)12-22-8-4-15(5-9-22)20(24)23-6-2-1-3-7-23/h10-11,15H,1-9,12-14H2
InChIKeyWXPDVJMYJBFBSW-UHFFFAOYSA-N
XLogP2.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

N-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 47012415
N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide
CID 34901048
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
CID 47012412
N-(5-chloro-2-hydroxyphenyl)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 112841794
[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37375804
(3R)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 94124395
1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 47006679
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine
CID 17482114
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
CID 2811098
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912
1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate
CID 6930925
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006

Frequently Asked Questions

What is the IUPAC name of [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 47012409) is [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(Cc2cc(F)cc3c2OCOC3)CC1)N1CCCCC1.
What is the InChIKey of [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is WXPDVJMYJBFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c21-18-10-16(19-17(11-18)13-25-14-26-19)12-22-8-4-15(5-9-22)20(24)23-6-2-1-3-7-23/h10-11,15H,1-9,12-14H2.
What are the key properties of [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 362.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 47012409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).