4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile

C20H23N3O2 — CID 133453132

IUPAC4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C20H23N3O2/c21-11-16-12-22-19-4-2-1-3-18(19)20(16)23-8-5-17(6-9-23)25-14-15-7-10-24-13-15/h1-4,12,15,17H,5-10,13-14H2
InChIKeyGBDOLSXNKDGXHS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.13
Rot. Bonds4

About 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile

4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 133453132) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID133453132
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C20H23N3O2/c21-11-16-12-22-19-4-2-1-3-18(19)20(16)23-8-5-17(6-9-23)25-14-15-7-10-24-13-15/h1-4,12,15,17H,5-10,13-14H2
InChIKeyGBDOLSXNKDGXHS-UHFFFAOYSA-N
XLogP3.13
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
CID 61217907
5-bromo-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453110
4-(4-ethenylpiperidin-1-yl)quinoline-3-carbonitrile
CID 133321761
4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 115667709
5-nitro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453092
6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 133453291
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133453307
4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
CID 43669146
8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline
CID 133453289
4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
CID 79033910
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 43669154
2-fluoro-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453215

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile (CID 133453132) is 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1N1CCC(OCC2CCOC2)CC1.
What is the InChIKey of 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is GBDOLSXNKDGXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-11-16-12-22-19-4-2-1-3-18(19)20(16)23-8-5-17(6-9-23)25-14-15-7-10-24-13-15/h1-4,12,15,17H,5-10,13-14H2.
What are the key properties of 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile?
4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133453132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).