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

C17H24N4 — CID 951314

IUPAC1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)Cc1nc(N2CCNCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C17H24N4/c1-12(2)10-16-14-5-3-4-13(14)15(11-18)17(20-16)21-8-6-19-7-9-21/h12,19H,3-10H2,1-2H3
InChIKeyZKJFMFJFPJNZKJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.05
Rot. Bonds3

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

1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (PubChem CID 951314) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
PubChem CID951314
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)Cc1nc(N2CCNCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C17H24N4/c1-12(2)10-16-14-5-3-4-13(14)15(11-18)17(20-16)21-8-6-19-7-9-21/h12,19H,3-10H2,1-2H3
InChIKeyZKJFMFJFPJNZKJ-UHFFFAOYSA-N
XLogP2.05
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Butyl-3,4-dihydro-3,3-dimethyl-6-(1-piperazinyl)-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
CID 623871
6-((2-aminoethyl)amino)-8-ethyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
CID 3713305
(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-4-carbonitrile
CID 44409124
3-(4-acetylpiperazin-1-yl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 661764
8-Ethyl-3,3-dimethyl-6-(1-piperazinyl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
CID 619096
1-Ethyl-3-(3-methylbutylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 4366711
3,4,5-Pyridinetricarbonitrile, 2-amino-6-(2-(diethylamino)ethylamino)-
CID 267532
3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 661519
1-(2-methylpropyl)-3-(piperidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 661605
3-(4-butanoylpiperazin-1-yl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 661639
1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 661667
3-(morpholin-4-yl)-1-(propan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 662061

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CID 951314) is 1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is CC(C)Cc1nc(N2CCNCC2)c(C#N)c2c1CCC2.
What is the InChIKey of 1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The InChIKey is ZKJFMFJFPJNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)10-16-14-5-3-4-13(14)15(11-18)17(20-16)21-8-6-19-7-9-21/h12,19H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has a molecular weight of 284.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is sourced from PubChem (CID 951314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).