[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

C20H25FN2O3 — CID 70758255

IUPAC[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCCC(COc3ccc(F)cc3)C2)o1
InChIInChI=1S/C20H25FN2O3/c1-22(2)13-18-9-10-19(26-18)20(24)23-11-3-4-15(12-23)14-25-17-7-5-16(21)6-8-17/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyBOYBOHRGLJIOSL-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.41
Rot. Bonds6

About [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 70758255) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
PubChem CID70758255
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCCC(COc3ccc(F)cc3)C2)o1
InChIInChI=1S/C20H25FN2O3/c1-22(2)13-18-9-10-19(26-18)20(24)23-11-3-4-15(12-23)14-25-17-7-5-16(21)6-8-17/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyBOYBOHRGLJIOSL-UHFFFAOYSA-N
XLogP3.41
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124628175
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 96576627
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95564079
[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25460748
[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 119592675
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70781847
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803
[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 131932023
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 95885966
(3-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119379806

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (CID 70758255) is [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is CN(C)Cc1ccc(C(=O)N2CCCC(COc3ccc(F)cc3)C2)o1.
What is the InChIKey of [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is BOYBOHRGLJIOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-22(2)13-18-9-10-19(26-18)20(24)23-11-3-4-15(12-23)14-25-17-7-5-16(21)6-8-17/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 360.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70758255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).