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

C13H15ClN2O — CID 50988448

IUPAC6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1C1CCNCC1
InChIInChI=1S/C13H15ClN2O/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)
InChIKeyDMKIVXJEYOPLSR-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.38
Rot. Bonds1

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

6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one (PubChem CID 50988448) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one
PubChem CID50988448
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1C1CCNCC1
InChIInChI=1S/C13H15ClN2O/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)
InChIKeyDMKIVXJEYOPLSR-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.38
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?
The IUPAC name of 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one (CID 50988448) is 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one is O=C1Nc2cc(Cl)ccc2C1C1CCNCC1.
What is the InChIKey of 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one?
The InChIKey is DMKIVXJEYOPLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/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).
What are the key properties of 6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one?
6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one has a molecular weight of 250.73 g/mol, XLogP of 2.38, 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 is sourced from PubChem (CID 50988448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).