1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one

C17H24N2O — CID 71013060

IUPAC1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one
SMILESCC1CCCC(CCN2C(=O)Cc3ccccc32)N1C
InChIInChI=1S/C17H24N2O/c1-13-6-5-8-15(18(13)2)10-11-19-16-9-4-3-7-14(16)12-17(19)20/h3-4,7,9,13,15H,5-6,8,10-12H2,1-2H3
InChIKeyNYINIZNBPMTVJT-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one

1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one (PubChem CID 71013060) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one
PubChem CID71013060
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one
SMILESCC1CCCC(CCN2C(=O)Cc3ccccc32)N1C
InChIInChI=1S/C17H24N2O/c1-13-6-5-8-15(18(13)2)10-11-19-16-9-4-3-7-14(16)12-17(19)20/h3-4,7,9,13,15H,5-6,8,10-12H2,1-2H3
InChIKeyNYINIZNBPMTVJT-UHFFFAOYSA-N
XLogP2.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one?
The IUPAC name of 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one (CID 71013060) is 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one?
The canonical SMILES for 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one is CC1CCCC(CCN2C(=O)Cc3ccccc32)N1C.
What is the InChIKey of 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one?
The InChIKey is NYINIZNBPMTVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-6-5-8-15(18(13)2)10-11-19-16-9-4-3-7-14(16)12-17(19)20/h3-4,7,9,13,15H,5-6,8,10-12H2,1-2H3.
What are the key properties of 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one?
1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one is sourced from PubChem (CID 71013060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).