3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one

C26H26N2O — CID 15284413

IUPAC3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one
SMILESO=C1N(N2CCCCC2)c2ccccc2C1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c29-25-26(22-14-6-2-7-15-22,20-21-12-4-1-5-13-21)23-16-8-9-17-24(23)28(25)27-18-10-3-11-19-27/h1-2,4-9,12-17H,3,10-11,18-20H2
InChIKeyXRTJKBUFUGVBAB-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.96
Rot. Bonds4

About 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one

3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one (PubChem CID 15284413) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one.

Molecular Properties

Compound Name3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one
PubChem CID15284413
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one
SMILESO=C1N(N2CCCCC2)c2ccccc2C1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c29-25-26(22-14-6-2-7-15-22,20-21-12-4-1-5-13-21)23-16-8-9-17-24(23)28(25)27-18-10-3-11-19-27/h1-2,4-9,12-17H,3,10-11,18-20H2
InChIKeyXRTJKBUFUGVBAB-UHFFFAOYSA-N
XLogP4.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one?
The IUPAC name of 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one (CID 15284413) is 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one.
What is the SMILES notation for 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one?
The canonical SMILES for 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one is O=C1N(N2CCCCC2)c2ccccc2C1(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one?
The InChIKey is XRTJKBUFUGVBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c29-25-26(22-14-6-2-7-15-22,20-21-12-4-1-5-13-21)23-16-8-9-17-24(23)28(25)27-18-10-3-11-19-27/h1-2,4-9,12-17H,3,10-11,18-20H2.
What are the key properties of 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one?
3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one has a molecular weight of 382.51 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one is sourced from PubChem (CID 15284413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).