3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one

C21H24N2O — CID 12741867

IUPAC3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-20(18-8-4-5-9-19(18)22-21)17-11-14-23(15-12-17)13-10-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H,22,24)
InChIKeyCLDOWXLTLKFJDS-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.68
Rot. Bonds4

About 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one

3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 12741867) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID12741867
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-20(18-8-4-5-9-19(18)22-21)17-11-14-23(15-12-17)13-10-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H,22,24)
InChIKeyCLDOWXLTLKFJDS-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one (CID 12741867) is 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is CLDOWXLTLKFJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21-20(18-8-4-5-9-19(18)22-21)17-11-14-23(15-12-17)13-10-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H,22,24).
What are the key properties of 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 320.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 12741867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).