[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone

C18H20N2O2 — CID 53015005

IUPAC[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C18H20N2O2/c21-18(15-8-12-22-13-15)19-9-6-16(7-10-19)20-11-5-14-3-1-2-4-17(14)20/h1-4,8,12-13,16H,5-7,9-11H2
InChIKeyFBZACRRYEIDZCN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.95
Rot. Bonds2

About [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone

[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 53015005) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID53015005
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C18H20N2O2/c21-18(15-8-12-22-13-15)19-9-6-16(7-10-19)20-11-5-14-3-1-2-4-17(14)20/h1-4,8,12-13,16H,5-7,9-11H2
InChIKeyFBZACRRYEIDZCN-UHFFFAOYSA-N
XLogP2.95
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone (CID 53015005) is [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC(N2CCc3ccccc32)CC1.
What is the InChIKey of [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is FBZACRRYEIDZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(15-8-12-22-13-15)19-9-6-16(7-10-19)20-11-5-14-3-1-2-4-17(14)20/h1-4,8,12-13,16H,5-7,9-11H2.
What are the key properties of [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone?
[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 53015005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).