1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one

C22H26N2O — CID 142181726

IUPAC1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(CCC2=CCC=CC=C2)CC1
InChIInChI=1S/C22H26N2O/c25-22-17-19-9-5-6-10-21(19)24(22)20-12-15-23(16-13-20)14-11-18-7-3-1-2-4-8-18/h1-3,5-10,20H,4,11-17H2
InChIKeyVFYBCWZZTTYMHJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.87
Rot. Bonds4

About 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one

1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 142181726) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID142181726
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(CCC2=CCC=CC=C2)CC1
InChIInChI=1S/C22H26N2O/c25-22-17-19-9-5-6-10-21(19)24(22)20-12-15-23(16-13-20)14-11-18-7-3-1-2-4-8-18/h1-3,5-10,20H,4,11-17H2
InChIKeyVFYBCWZZTTYMHJ-UHFFFAOYSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one (CID 142181726) is 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(CCC2=CCC=CC=C2)CC1.
What is the InChIKey of 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is VFYBCWZZTTYMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22-17-19-9-5-6-10-21(19)24(22)20-12-15-23(16-13-20)14-11-18-7-3-1-2-4-8-18/h1-3,5-10,20H,4,11-17H2.
What are the key properties of 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 334.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 142181726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).