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

C22H26N3O+ — CID 7350061

IUPAC3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCCCC3)[nH+]c(-c3ccccc3)c2CO1
InChIInChI=1S/C22H25N3O/c1-22(2)13-17-18(14-23)21(25-11-7-4-8-12-25)24-20(19(17)15-26-22)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-13,15H2,1-2H3/p+1
InChIKeyFLWXGEFGLGVFMM-UHFFFAOYSA-O
MW348.47 g/mol
LogP3.88
Rot. Bonds2

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

3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile (PubChem CID 7350061) has the molecular formula C22H26N3O+ and a molecular weight of 348.47 g/mol. Its IUPAC name is 3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
PubChem CID7350061
Molecular FormulaC22H26N3O+
Molecular Weight348.47 g/mol
Exact Mass348.21
IUPAC Name3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCCCC3)[nH+]c(-c3ccccc3)c2CO1
InChIInChI=1S/C22H25N3O/c1-22(2)13-17-18(14-23)21(25-11-7-4-8-12-25)24-20(19(17)15-26-22)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-13,15H2,1-2H3/p+1
InChIKeyFLWXGEFGLGVFMM-UHFFFAOYSA-O
XLogP3.88
TPSA50.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7358488
1-phenyl-3-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
CID 6945861
3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 752329
3,3-dimethyl-6-methylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 658791
6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 6942138
6-amino-3,3-dimethyl-7-phenyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 911733
2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23855171
3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282571
(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
3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282437
N-[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide
CID 3516870
6-[2-(3-cyanophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281624

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile (CID 7350061) is 3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile is CC1(C)Cc2c(C#N)c(N3CCCCC3)[nH+]c(-c3ccccc3)c2CO1.
What is the InChIKey of 3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The InChIKey is FLWXGEFGLGVFMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25N3O/c1-22(2)13-17-18(14-23)21(25-11-7-4-8-12-25)24-20(19(17)15-26-22)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-13,15H2,1-2H3/p+1.
What are the key properties of 3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile has a molecular weight of 348.47 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile is sourced from PubChem (CID 7350061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).