1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one

C23H32N2O — CID 11451023

IUPAC1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1
InChIInChI=1S/C23H32N2O/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/h3-4,7-8,17-18,20-21H,1-2,5-6,9-16H2
InChIKeyIFUDRLSXETXJHT-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.40
Rot. Bonds2

About 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one

1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 11451023) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one
PubChem CID11451023
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1
InChIInChI=1S/C23H32N2O/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/h3-4,7-8,17-18,20-21H,1-2,5-6,9-16H2
InChIKeyIFUDRLSXETXJHT-UHFFFAOYSA-N
XLogP4.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one (CID 11451023) is 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1.
What is the InChIKey of 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is IFUDRLSXETXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/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/h3-4,7-8,17-18,20-21H,1-2,5-6,9-16H2.
What are the key properties of 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 352.52 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 11451023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).