2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C16H21N3 — CID 54944458

IUPAC2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1CC(C)CN(c2nc3c(cc2C#N)CCC3)C1
InChIInChI=1S/C16H21N3/c1-11-6-12(2)10-19(9-11)16-14(8-17)7-13-4-3-5-15(13)18-16/h7,11-12H,3-6,9-10H2,1-2H3
InChIKeyWWJSSGDOWPDDHT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.92
Rot. Bonds1

About 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 54944458) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID54944458
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1CC(C)CN(c2nc3c(cc2C#N)CCC3)C1
InChIInChI=1S/C16H21N3/c1-11-6-12(2)10-19(9-11)16-14(8-17)7-13-4-3-5-15(13)18-16/h7,11-12H,3-6,9-10H2,1-2H3
InChIKeyWWJSSGDOWPDDHT-UHFFFAOYSA-N
XLogP2.92
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 54944458) is 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC1CC(C)CN(c2nc3c(cc2C#N)CCC3)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is WWJSSGDOWPDDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-6-12(2)10-19(9-11)16-14(8-17)7-13-4-3-5-15(13)18-16/h7,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 255.36 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 54944458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).