3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride

C20H23ClN2O2 — CID 155544672

IUPAC3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride
SMILESCl.O=C1N(CC2CCNCC2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C20H22N2O2.ClH/c23-19-20(24,16-6-2-1-3-7-16)17-8-4-5-9-18(17)22(19)14-15-10-12-21-13-11-15;/h1-9,15,21,24H,10-14H2;1H
InChIKeyLRVIWQPCOCNVDV-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.69
Rot. Bonds3

About 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride

3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride (PubChem CID 155544672) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride
PubChem CID155544672
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride
SMILESCl.O=C1N(CC2CCNCC2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C20H22N2O2.ClH/c23-19-20(24,16-6-2-1-3-7-16)17-8-4-5-9-18(17)22(19)14-15-10-12-21-13-11-15;/h1-9,15,21,24H,10-14H2;1H
InChIKeyLRVIWQPCOCNVDV-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride?
The IUPAC name of 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride (CID 155544672) is 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride.
What is the SMILES notation for 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride?
The canonical SMILES for 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride is Cl.O=C1N(CC2CCNCC2)c2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride?
The InChIKey is LRVIWQPCOCNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c23-19-20(24,16-6-2-1-3-7-16)17-8-4-5-9-18(17)22(19)14-15-10-12-21-13-11-15;/h1-9,15,21,24H,10-14H2;1H.
What are the key properties of 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride?
3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride is sourced from PubChem (CID 155544672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).