1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one

C20H26N2O — CID 22558083

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C20H26N2O/c23-20-13-15-3-1-2-4-18(15)22(20)17-7-9-21(10-8-17)19-12-14-5-6-16(19)11-14/h1-4,14,16-17,19H,5-13H2
InChIKeyXZNQOCYOECGHKR-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.23
Rot. Bonds2

About 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one

1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 22558083) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID22558083
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C20H26N2O/c23-20-13-15-3-1-2-4-18(15)22(20)17-7-9-21(10-8-17)19-12-14-5-6-16(19)11-14/h1-4,14,16-17,19H,5-13H2
InChIKeyXZNQOCYOECGHKR-UHFFFAOYSA-N
XLogP3.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one (CID 22558083) is 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is XZNQOCYOECGHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c23-20-13-15-3-1-2-4-18(15)22(20)17-7-9-21(10-8-17)19-12-14-5-6-16(19)11-14/h1-4,14,16-17,19H,5-13H2.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 22558083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).