1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

C20H28N4 — CID 39035290

IUPAC1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCN1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCC3)CC1
InChIInChI=1S/C20H28N4/c1-23-10-12-24(13-11-23)20-18(14-21)16-8-5-9-17(16)19(22-20)15-6-3-2-4-7-15/h15H,2-13H2,1H3
InChIKeyDPAXISOFCPUPQH-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.24
Rot. Bonds2

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

1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (PubChem CID 39035290) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
PubChem CID39035290
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCN1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCC3)CC1
InChIInChI=1S/C20H28N4/c1-23-10-12-24(13-11-23)20-18(14-21)16-8-5-9-17(16)19(22-20)15-6-3-2-4-7-15/h15H,2-13H2,1H3
InChIKeyDPAXISOFCPUPQH-UHFFFAOYSA-N
XLogP3.24
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The IUPAC name of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CID 39035290) is 1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The canonical SMILES for 1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is CN1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCC3)CC1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The InChIKey is DPAXISOFCPUPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-23-10-12-24(13-11-23)20-18(14-21)16-8-5-9-17(16)19(22-20)15-6-3-2-4-7-15/h15H,2-13H2,1H3.
What are the key properties of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has a molecular weight of 324.47 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is sourced from PubChem (CID 39035290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).