1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one

C17H22N2O2 — CID 53014610

IUPAC1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2ccc(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C17H22N2O2/c1-2-16(20)19-11-8-13-6-7-14(12-15(13)19)17(21)18-9-4-3-5-10-18/h6-7,12H,2-5,8-11H2,1H3
InChIKeyCBFQFNKGFJTDRZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.61
Rot. Bonds2

About 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one

1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 53014610) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID53014610
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2ccc(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C17H22N2O2/c1-2-16(20)19-11-8-13-6-7-14(12-15(13)19)17(21)18-9-4-3-5-10-18/h6-7,12H,2-5,8-11H2,1H3
InChIKeyCBFQFNKGFJTDRZ-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one (CID 53014610) is 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CCc2ccc(C(=O)N3CCCCC3)cc21.
What is the InChIKey of 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is CBFQFNKGFJTDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-16(20)19-11-8-13-6-7-14(12-15(13)19)17(21)18-9-4-3-5-10-18/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 286.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 53014610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).