3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one

C14H19N3O — CID 114992991

IUPAC3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2c1cccc2N1CCCCC1
InChIInChI=1S/C14H19N3O/c1-15-13-10-6-5-7-11(12(10)16-14(13)18)17-8-3-2-4-9-17/h5-7,13,15H,2-4,8-9H2,1H3,(H,16,18)
InChIKeyDMCVGHHRKINLCG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.89
Rot. Bonds2

About 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one

3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one (PubChem CID 114992991) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one
PubChem CID114992991
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2c1cccc2N1CCCCC1
InChIInChI=1S/C14H19N3O/c1-15-13-10-6-5-7-11(12(10)16-14(13)18)17-8-3-2-4-9-17/h5-7,13,15H,2-4,8-9H2,1H3,(H,16,18)
InChIKeyDMCVGHHRKINLCG-UHFFFAOYSA-N
XLogP1.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(azocan-1-yl)-5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344878
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
2-methyl-5-pyrrolidin-1-yl-4H-1,4-benzoxazin-3-one
CID 168513850
3-(methylamino)-1,3-dihydropyrrolo[3,2-h]quinolin-2-one
CID 114988001
7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
CID 82235334
1-[3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 43586522
6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 114240010
5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767
6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 43586559
1-(2-cyclopropylphenyl)pyrrolidine
CID 155600422
7-chloro-3-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 82239753
2-methyl-7-pyrrolidin-1-yl-2,3-dihydro-1H-indole
CID 105454725

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one (CID 114992991) is 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one is CNC1C(=O)Nc2c1cccc2N1CCCCC1.
What is the InChIKey of 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one?
The InChIKey is DMCVGHHRKINLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-15-13-10-6-5-7-11(12(10)16-14(13)18)17-8-3-2-4-9-17/h5-7,13,15H,2-4,8-9H2,1H3,(H,16,18).
What are the key properties of 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one?
3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 114992991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).