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

C22H32N2O — CID 10020165

IUPAC1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C22H32N2O/c25-22-16-19-10-6-7-11-21(19)24(22)20-12-14-23(15-13-20)17-18-8-4-2-1-3-5-9-18/h6-7,10-11,18,20H,1-5,8-9,12-17H2
InChIKeyQAWBKQCFIWTTBQ-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.40
Rot. Bonds3

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

1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 10020165) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID10020165
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C22H32N2O/c25-22-16-19-10-6-7-11-21(19)24(22)20-12-14-23(15-13-20)17-18-8-4-2-1-3-5-9-18/h6-7,10-11,18,20H,1-5,8-9,12-17H2
InChIKeyQAWBKQCFIWTTBQ-UHFFFAOYSA-N
XLogP4.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
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-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one (CID 10020165) is 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1.
What is the InChIKey of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is QAWBKQCFIWTTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c25-22-16-19-10-6-7-11-21(19)24(22)20-12-14-23(15-13-20)17-18-8-4-2-1-3-5-9-18/h6-7,10-11,18,20H,1-5,8-9,12-17H2.
What are the key properties of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 340.51 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 10020165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).