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

C22H26N4O2 — CID 661435

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1CCC2
InChIInChI=1S/C22H26N4O2/c1-15(2)13-19-17-6-3-5-16(17)18(14-23)21(24-19)25-8-10-26(11-9-25)22(27)20-7-4-12-28-20/h4,7,12,15H,3,5-6,8-11,13H2,1-2H3
InChIKeyWFAUSMGSYQEJRO-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.20
Rot. Bonds4

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

3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (PubChem CID 661435) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
PubChem CID661435
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1CCC2
InChIInChI=1S/C22H26N4O2/c1-15(2)13-19-17-6-3-5-16(17)18(14-23)21(24-19)25-8-10-26(11-9-25)22(27)20-7-4-12-28-20/h4,7,12,15H,3,5-6,8-11,13H2,1-2H3
InChIKeyWFAUSMGSYQEJRO-UHFFFAOYSA-N
XLogP3.20
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CID 661435) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is CC(C)Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1CCC2.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The InChIKey is WFAUSMGSYQEJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)13-19-17-6-3-5-16(17)18(14-23)21(24-19)25-8-10-26(11-9-25)22(27)20-7-4-12-28-20/h4,7,12,15H,3,5-6,8-11,13H2,1-2H3.
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has a molecular weight of 378.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is sourced from PubChem (CID 661435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).