2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one

C24H27N3O4 — CID 3245259

IUPAC2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)CC1
InChIInChI=1S/C24H27N3O4/c28-22(25-11-13-26(14-12-25)23(29)20-10-5-15-31-20)19-9-4-6-17-16-27(24(30)21(17)19)18-7-2-1-3-8-18/h4-6,9-10,15,18H,1-3,7-8,11-14,16H2
InChIKeyIMCUEHOSTYMOBU-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.17
Rot. Bonds3

About 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one

2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one (PubChem CID 3245259) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one
PubChem CID3245259
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)CC1
InChIInChI=1S/C24H27N3O4/c28-22(25-11-13-26(14-12-25)23(29)20-10-5-15-31-20)19-9-4-6-17-16-27(24(30)21(17)19)18-7-2-1-3-8-18/h4-6,9-10,15,18H,1-3,7-8,11-14,16H2
InChIKeyIMCUEHOSTYMOBU-UHFFFAOYSA-N
XLogP3.17
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one?
The IUPAC name of 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one (CID 3245259) is 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one?
The canonical SMILES for 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one is O=C(c1ccco1)N1CCN(C(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)CC1.
What is the InChIKey of 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one?
The InChIKey is IMCUEHOSTYMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-22(25-11-13-26(14-12-25)23(29)20-10-5-15-31-20)19-9-4-6-17-16-27(24(30)21(17)19)18-7-2-1-3-8-18/h4-6,9-10,15,18H,1-3,7-8,11-14,16H2.
What are the key properties of 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one?
2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one has a molecular weight of 421.50 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3H-isoindol-1-one is sourced from PubChem (CID 3245259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).