3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C19H27N3O — CID 910980

IUPAC3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCc1nc(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-4-8-17-16-13-23-19(2,3)11-14(16)15(12-20)18(21-17)22-9-6-5-7-10-22/h4-11,13H2,1-3H3
InChIKeyBUOPNVMEFOWCSP-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.75
Rot. Bonds3

About 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 910980) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID910980
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCc1nc(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H27N3O/c1-4-8-17-16-13-23-19(2,3)11-14(16)15(12-20)18(21-17)22-9-6-5-7-10-22/h4-11,13H2,1-3H3
InChIKeyBUOPNVMEFOWCSP-UHFFFAOYSA-N
XLogP3.75
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 910980) is 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCc1nc(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is BUOPNVMEFOWCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-8-17-16-13-23-19(2,3)11-14(16)15(12-20)18(21-17)22-9-6-5-7-10-22/h4-11,13H2,1-3H3.
What are the key properties of 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 313.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-piperidin-1-yl-8-propyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 910980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).