3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

C19H28N3O+ — CID 7358488

IUPAC3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
SMILESCC(C)c1[nH+]c(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-13(2)17-16-12-23-19(3,4)10-14(16)15(11-20)18(21-17)22-8-6-5-7-9-22/h13H,5-10,12H2,1-4H3/p+1
InChIKeyPSXILVQZGNGSAL-UHFFFAOYSA-O
MW314.45 g/mol
LogP3.34
Rot. Bonds2

About 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile (PubChem CID 7358488) has the molecular formula C19H28N3O+ and a molecular weight of 314.45 g/mol. Its IUPAC name is 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
PubChem CID7358488
Molecular FormulaC19H28N3O+
Molecular Weight314.45 g/mol
Exact Mass314.22
IUPAC Name3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
SMILESCC(C)c1[nH+]c(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-13(2)17-16-12-23-19(3,4)10-14(16)15(11-20)18(21-17)22-8-6-5-7-9-22/h13H,5-10,12H2,1-4H3/p+1
InChIKeyPSXILVQZGNGSAL-UHFFFAOYSA-O
XLogP3.34
TPSA50.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7350061
3,3-dimethyl-6-methylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 658791
(2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]propanoate
CID 7358610
6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 6942138
3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 752329
2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23855171
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
8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 6937082
6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile
CID 171987526
6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 910170
8-butyl-3,3-dimethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71703133
6-[(3,4-dichlorophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 3290963

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile (CID 7358488) is 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile is CC(C)c1[nH+]c(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The InChIKey is PSXILVQZGNGSAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N3O/c1-13(2)17-16-12-23-19(3,4)10-14(16)15(11-20)18(21-17)22-8-6-5-7-9-22/h13H,5-10,12H2,1-4H3/p+1.
What are the key properties of 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile has a molecular weight of 314.45 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile is sourced from PubChem (CID 7358488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).