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

C24H36N2O — CID 22558149

IUPAC1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one
SMILESCCC1C(=O)N(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H36N2O/c1-2-21-22-12-8-9-13-23(22)26(24(21)27)20-14-16-25(17-15-20)18-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21H,2-7,10-11,14-18H2,1H3
InChIKeyXLRVRCJVURLQLB-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.35
Rot. Bonds4

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

1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one (PubChem CID 22558149) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one
PubChem CID22558149
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one
SMILESCCC1C(=O)N(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H36N2O/c1-2-21-22-12-8-9-13-23(22)26(24(21)27)20-14-16-25(17-15-20)18-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21H,2-7,10-11,14-18H2,1H3
InChIKeyXLRVRCJVURLQLB-UHFFFAOYSA-N
XLogP5.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.35
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]-3-ethyl-3H-indol-2-one?
The IUPAC name of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one (CID 22558149) is 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one.
What is the SMILES notation for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one?
The canonical SMILES for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one is CCC1C(=O)N(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21.
What is the InChIKey of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one?
The InChIKey is XLRVRCJVURLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-2-21-22-12-8-9-13-23(22)26(24(21)27)20-14-16-25(17-15-20)18-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21H,2-7,10-11,14-18H2,1H3.
What are the key properties of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one?
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-3H-indol-2-one has a molecular weight of 368.57 g/mol, XLogP of 5.35, 4 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]-3-ethyl-3H-indol-2-one is sourced from PubChem (CID 22558149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).