2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile

C23H23N3O2 — CID 56902027

IUPAC2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCCC(OCc3cccnc3)C2)o1
InChIInChI=1S/C23H23N3O2/c24-13-19-6-1-2-8-22(19)23-10-9-21(28-23)16-26-12-4-7-20(15-26)27-17-18-5-3-11-25-14-18/h1-3,5-6,8-11,14,20H,4,7,12,15-17H2
InChIKeyFGAHBCYKOIIUSK-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.39
Rot. Bonds6

About 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile

2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile (PubChem CID 56902027) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
PubChem CID56902027
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCCC(OCc3cccnc3)C2)o1
InChIInChI=1S/C23H23N3O2/c24-13-19-6-1-2-8-22(19)23-10-9-21(28-23)16-26-12-4-7-20(15-26)27-17-18-5-3-11-25-14-18/h1-3,5-6,8-11,14,20H,4,7,12,15-17H2
InChIKeyFGAHBCYKOIIUSK-UHFFFAOYSA-N
XLogP4.39
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile with MolForge

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Related Compounds

2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 99953712
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56907304
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95722499
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
4-chloro-1-methyl-3-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indazole
CID 95714091
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42100655
2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 95729395
5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
CID 56711543

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile?
The IUPAC name of 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile (CID 56902027) is 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile.
What is the SMILES notation for 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile?
The canonical SMILES for 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc(CN2CCCC(OCc3cccnc3)C2)o1.
What is the InChIKey of 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile?
The InChIKey is FGAHBCYKOIIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-13-19-6-1-2-8-22(19)23-10-9-21(28-23)16-26-12-4-7-20(15-26)27-17-18-5-3-11-25-14-18/h1-3,5-6,8-11,14,20H,4,7,12,15-17H2.
What are the key properties of 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile?
2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile has a molecular weight of 373.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile is sourced from PubChem (CID 56902027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).