2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C21H22N2O3 — CID 656007

IUPAC2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c1-15-8-10-22(11-9-15)20(24)14-23-13-17(16-5-2-3-6-18(16)23)21(25)19-7-4-12-26-19/h2-7,12-13,15H,8-11,14H2,1H3
InChIKeyDRJZONUWZRGACZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.72
Rot. Bonds4

About 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 656007) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID656007
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c1-15-8-10-22(11-9-15)20(24)14-23-13-17(16-5-2-3-6-18(16)23)21(25)19-7-4-12-26-19/h2-7,12-13,15H,8-11,14H2,1H3
InChIKeyDRJZONUWZRGACZ-UHFFFAOYSA-N
XLogP3.72
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 656007) is 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1.
What is the InChIKey of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is DRJZONUWZRGACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-8-10-22(11-9-15)20(24)14-23-13-17(16-5-2-3-6-18(16)23)21(25)19-7-4-12-26-19/h2-7,12-13,15H,8-11,14H2,1H3.
What are the key properties of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 350.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 656007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).