5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one

C16H21N3O2 — CID 102711671

IUPAC5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESCNC1(C)CCN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C16H21N3O2/c1-16(17-2)5-7-19(8-6-16)15(21)11-3-4-13-12(9-11)10-14(20)18-13/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyLRZWSHWDWXMYOM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.40
Rot. Bonds2

About 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one

5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 102711671) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
PubChem CID102711671
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESCNC1(C)CCN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C16H21N3O2/c1-16(17-2)5-7-19(8-6-16)15(21)11-3-4-13-12(9-11)10-14(20)18-13/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyLRZWSHWDWXMYOM-UHFFFAOYSA-N
XLogP1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103878855
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 107728799
5-(4-acetyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1,3-dihydroindol-2-one
CID 166373053
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
(4-fluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304379
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774
6-(4-ethyl-4-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102712356
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one (CID 102711671) is 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one is CNC1(C)CCN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The InChIKey is LRZWSHWDWXMYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(17-2)5-7-19(8-6-16)15(21)11-3-4-13-12(9-11)10-14(20)18-13/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 102711671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).