3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile

C15H17FN2O2 — CID 102930597

IUPAC3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile
SMILESN#Cc1ccc(OC2COC3(CCNCC3)C2)c(F)c1
InChIInChI=1S/C15H17FN2O2/c16-13-7-11(9-17)1-2-14(13)20-12-8-15(19-10-12)3-5-18-6-4-15/h1-2,7,12,18H,3-6,8,10H2
InChIKeyWVDMRTVSRGMPNB-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.99
Rot. Bonds2

About 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile

3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile (PubChem CID 102930597) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile
PubChem CID102930597
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile
SMILESN#Cc1ccc(OC2COC3(CCNCC3)C2)c(F)c1
InChIInChI=1S/C15H17FN2O2/c16-13-7-11(9-17)1-2-14(13)20-12-8-15(19-10-12)3-5-18-6-4-15/h1-2,7,12,18H,3-6,8,10H2
InChIKeyWVDMRTVSRGMPNB-UHFFFAOYSA-N
XLogP1.99
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ucl-2138
CID 2994072
4-(Piperidin-4-yloxy)benzonitrile
CID 11241109
4-(1-Propylpiperidin-4-yl)oxybenzonitrile
CID 9834709
4-(1-Ethylpiperidin-4-yl)oxybenzonitrile
CID 11368217
4-{2-[2-(Cyclopentylamino)ethoxy]ethoxy}benzonitrile
CID 1825684
4-[(4-Fluoro-phenyl)-piperidin-3-yl-methoxy]-benzonitrile
CID 11301347
4-[1-(4-Fluoro-phenyl)-2-piperidin-4-yl-ethoxy]-benzonitrile
CID 44367933
4-(1-Methylpiperidin-4-yloxy)benzonitrile
CID 11458595
4-(4-(Trifluoromethyl)phenoxy)piperidine
CID 3688392
4-(3-(4,4-Difluoropiperidin-1-yl)propoxy)benzonitrile
CID 44592095
4-(4-Methylphenoxy)piperidine
CID 3837497
2-(4-Piperidinyloxy)benzonitrile
CID 16732591

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile?
The IUPAC name of 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile (CID 102930597) is 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile?
The canonical SMILES for 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile is N#Cc1ccc(OC2COC3(CCNCC3)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile?
The InChIKey is WVDMRTVSRGMPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-13-7-11(9-17)1-2-14(13)20-12-8-15(19-10-12)3-5-18-6-4-15/h1-2,7,12,18H,3-6,8,10H2.
What are the key properties of 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile?
3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile has a molecular weight of 276.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile is sourced from PubChem (CID 102930597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).