1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one

C22H30N2O — CID 11461888

IUPAC1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1
InChIInChI=1S/C22H30N2O/c25-21-15-18-5-1-2-10-20(18)24(21)19-11-13-23(14-12-19)22-16-6-3-7-17(22)9-4-8-16/h1-2,5,10,16-17,19,22H,3-4,6-9,11-15H2
InChIKeyXVFXJQGBDPFCRF-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.01
Rot. Bonds2

About 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one

1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 11461888) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID11461888
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1
InChIInChI=1S/C22H30N2O/c25-21-15-18-5-1-2-10-20(18)24(21)19-11-13-23(14-12-19)22-16-6-3-7-17(22)9-4-8-16/h1-2,5,10,16-17,19,22H,3-4,6-9,11-15H2
InChIKeyXVFXJQGBDPFCRF-UHFFFAOYSA-N
XLogP4.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one (CID 11461888) is 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1.
What is the InChIKey of 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is XVFXJQGBDPFCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-21-15-18-5-1-2-10-20(18)24(21)19-11-13-23(14-12-19)22-16-6-3-7-17(22)9-4-8-16/h1-2,5,10,16-17,19,22H,3-4,6-9,11-15H2.
What are the key properties of 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 338.50 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 11461888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).