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

C21H24N2O — CID 12741865

IUPAC1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-16-18-8-4-5-9-20(18)23(21)19-11-14-22(15-12-19)13-10-17-6-2-1-3-7-17/h1-9,19H,10-16H2
InChIKeyDZVYISFRHUTANC-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.28
Rot. Bonds4

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

1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 12741865) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID12741865
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-16-18-8-4-5-9-20(18)23(21)19-11-14-22(15-12-19)13-10-17-6-2-1-3-7-17/h1-9,19H,10-16H2
InChIKeyDZVYISFRHUTANC-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one (CID 12741865) is 1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is DZVYISFRHUTANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21-16-18-8-4-5-9-20(18)23(21)19-11-14-22(15-12-19)13-10-17-6-2-1-3-7-17/h1-9,19H,10-16H2.
What are the key properties of 1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one?
1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 320.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 12741865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).