1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one

C23H26N2O — CID 11393860

IUPAC1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H26N2O/c26-23-16-19-7-3-4-8-22(19)25(23)20-11-13-24(14-12-20)21-10-9-17-5-1-2-6-18(17)15-21/h1-8,20-21H,9-16H2
InChIKeyMGIADQYKMHMDKW-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.60
Rot. Bonds2

About 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one

1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 11393860) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one
PubChem CID11393860
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H26N2O/c26-23-16-19-7-3-4-8-22(19)25(23)20-11-13-24(14-12-20)21-10-9-17-5-1-2-6-18(17)15-21/h1-8,20-21H,9-16H2
InChIKeyMGIADQYKMHMDKW-UHFFFAOYSA-N
XLogP3.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one (CID 11393860) is 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1.
What is the InChIKey of 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is MGIADQYKMHMDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c26-23-16-19-7-3-4-8-22(19)25(23)20-11-13-24(14-12-20)21-10-9-17-5-1-2-6-18(17)15-21/h1-8,20-21H,9-16H2.
What are the key properties of 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 346.47 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 11393860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).