1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

C18H25N3 — CID 661605

IUPAC1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)Cc1nc(N2CCCCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C18H25N3/c1-13(2)11-17-15-8-6-7-14(15)16(12-19)18(20-17)21-9-4-3-5-10-21/h13H,3-11H2,1-2H3
InChIKeyBQZUEMGPRHRGMG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (PubChem CID 661605) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
PubChem CID661605
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)Cc1nc(N2CCCCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C18H25N3/c1-13(2)11-17-15-8-6-7-14(15)16(12-19)18(20-17)21-9-4-3-5-10-21/h13H,3-11H2,1-2H3
InChIKeyBQZUEMGPRHRGMG-UHFFFAOYSA-N
XLogP3.63
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CID 661605) is 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is CC(C)Cc1nc(N2CCCCC2)c(C#N)c2c1CCC2.
What is the InChIKey of 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The InChIKey is BQZUEMGPRHRGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13(2)11-17-15-8-6-7-14(15)16(12-19)18(20-17)21-9-4-3-5-10-21/h13H,3-11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has a molecular weight of 283.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is sourced from PubChem (CID 661605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).