5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile

C16H22N2O3 — CID 75521051

IUPAC5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN2CCC(OCC3CCOC3)CC2)o1
InChIInChI=1S/C16H22N2O3/c17-9-15-1-2-16(21-15)10-18-6-3-14(4-7-18)20-12-13-5-8-19-11-13/h1-2,13-14H,3-8,10-12H2
InChIKeyXBPXFTRHPORLEB-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.17
Rot. Bonds5

About 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile

5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile (PubChem CID 75521051) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile
PubChem CID75521051
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN2CCC(OCC3CCOC3)CC2)o1
InChIInChI=1S/C16H22N2O3/c17-9-15-1-2-16(21-15)10-18-6-3-14(4-7-18)20-12-13-5-8-19-11-13/h1-2,13-14H,3-8,10-12H2
InChIKeyXBPXFTRHPORLEB-UHFFFAOYSA-N
XLogP2.17
TPSA58.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453110
5-nitro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453092
1-[(2-chloro-5-fluorophenyl)methyl]-4-[[(3S)-oxolan-3-yl]methoxy]piperidine
CID 100642461
2-fluoro-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453215
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133453307
4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile
CID 133453132
1-(2-chloro-4-nitrophenyl)-4-(oxolan-3-ylmethoxy)piperidine
CID 133453040
N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 133453180
6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 133453291
N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 97351995
1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 75500092
2-ethoxy-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453179

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile (CID 75521051) is 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile is N#Cc1ccc(CN2CCC(OCC3CCOC3)CC2)o1.
What is the InChIKey of 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile?
The InChIKey is XBPXFTRHPORLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-9-15-1-2-16(21-15)10-18-6-3-14(4-7-18)20-12-13-5-8-19-11-13/h1-2,13-14H,3-8,10-12H2.
What are the key properties of 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile?
5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile has a molecular weight of 290.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile is sourced from PubChem (CID 75521051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).