8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C22H31N3O3 — CID 71703133

IUPAC8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C22H31N3O3/c1-4-5-9-19-18-14-28-22(2,3)12-16(18)17(13-23)21(24-19)27-15-20(26)25-10-7-6-8-11-25/h4-12,14-15H2,1-3H3
InChIKeyHLFUASUBEAQOBR-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.54
Rot. Bonds6

About 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71703133) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71703133
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C22H31N3O3/c1-4-5-9-19-18-14-28-22(2,3)12-16(18)17(13-23)21(24-19)27-15-20(26)25-10-7-6-8-11-25/h4-12,14-15H2,1-3H3
InChIKeyHLFUASUBEAQOBR-UHFFFAOYSA-N
XLogP3.54
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71702253
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetohydrazide
CID 134691500
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide
CID 71708639
3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid
CID 56698837
4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile
CID 10449619
1-(azepan-1-yl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone
CID 60585567
6-[(3R)-4-butanoyl-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71136884
ethyl (2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
CID 1205092
8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 42537781
ethyl 3-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]propanoate
CID 6960247
2-[4-[[4-butyl-2-methyl-6-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 71115511
3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7358488

Frequently Asked Questions

What is the IUPAC name of 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71703133) is 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCCc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is HLFUASUBEAQOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-4-5-9-19-18-14-28-22(2,3)12-16(18)17(13-23)21(24-19)27-15-20(26)25-10-7-6-8-11-25/h4-12,14-15H2,1-3H3.
What are the key properties of 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 385.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71703133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).