6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one

C15H20ClN3O — CID 62655083

IUPAC6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCN1CCC(CNc2cc3c(cc2Cl)NC(=O)C3)CC1
InChIInChI=1S/C15H20ClN3O/c1-19-4-2-10(3-5-19)9-17-14-6-11-7-15(20)18-13(11)8-12(14)16/h6,8,10,17H,2-5,7,9H2,1H3,(H,18,20)
InChIKeyOLIHFZKTKTVNEL-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.59
Rot. Bonds3

About 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one

6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 62655083) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID62655083
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCN1CCC(CNc2cc3c(cc2Cl)NC(=O)C3)CC1
InChIInChI=1S/C15H20ClN3O/c1-19-4-2-10(3-5-19)9-17-14-6-11-7-15(20)18-13(11)8-12(14)16/h6,8,10,17H,2-5,7,9H2,1H3,(H,18,20)
InChIKeyOLIHFZKTKTVNEL-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one (CID 62655083) is 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one is CN1CCC(CNc2cc3c(cc2Cl)NC(=O)C3)CC1.
What is the InChIKey of 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is OLIHFZKTKTVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-19-4-2-10(3-5-19)9-17-14-6-11-7-15(20)18-13(11)8-12(14)16/h6,8,10,17H,2-5,7,9H2,1H3,(H,18,20).
What are the key properties of 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 293.80 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62655083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).