6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride

C13H16Cl2N2O — CID 50988447

IUPAC6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Nc2cc(Cl)ccc2C1C1CCNCC1
InChIInChI=1S/C13H15ClN2O.ClH/c14-9-1-2-10-11(7-9)16-13(17)12(10)8-3-5-15-6-4-8;/h1-2,7-8,12,15H,3-6H2,(H,16,17);1H
InChIKeyQHOCGPCYQJPUET-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.80
Rot. Bonds1

About 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride

6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 50988447) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride
PubChem CID50988447
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Nc2cc(Cl)ccc2C1C1CCNCC1
InChIInChI=1S/C13H15ClN2O.ClH/c14-9-1-2-10-11(7-9)16-13(17)12(10)8-3-5-15-6-4-8;/h1-2,7-8,12,15H,3-6H2,(H,16,17);1H
InChIKeyQHOCGPCYQJPUET-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride (CID 50988447) is 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride is Cl.O=C1Nc2cc(Cl)ccc2C1C1CCNCC1.
What is the InChIKey of 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is QHOCGPCYQJPUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O.ClH/c14-9-1-2-10-11(7-9)16-13(17)12(10)8-3-5-15-6-4-8;/h1-2,7-8,12,15H,3-6H2,(H,16,17);1H.
What are the key properties of 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride?
6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 287.19 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 50988447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).