1-(1-benzylpiperidin-4-yl)-3H-indol-2-one

C20H22N2O — CID 3655995

IUPAC1-(1-benzylpiperidin-4-yl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2
InChIKeyZRIOIQJUIUJPED-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.24
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one

1-(1-benzylpiperidin-4-yl)-3H-indol-2-one (PubChem CID 3655995) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3H-indol-2-one
PubChem CID3655995
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2
InChIKeyZRIOIQJUIUJPED-UHFFFAOYSA-N
XLogP3.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one (CID 3655995) is 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one?
The InChIKey is ZRIOIQJUIUJPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one?
1-(1-benzylpiperidin-4-yl)-3H-indol-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one is sourced from PubChem (CID 3655995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).