3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one

C15H20N2O — CID 117363131

IUPAC3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(CC3CCCCN3)cc21
InChIInChI=1S/C15H20N2O/c1-10-13-9-11(5-6-14(13)17-15(10)18)8-12-4-2-3-7-16-12/h5-6,9-10,12,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyNXGGXAWVDIEZBP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.43
Rot. Bonds2

About 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one

3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 117363131) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID117363131
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(CC3CCCCN3)cc21
InChIInChI=1S/C15H20N2O/c1-10-13-9-11(5-6-14(13)17-15(10)18)8-12-4-2-3-7-16-12/h5-6,9-10,12,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyNXGGXAWVDIEZBP-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 116994900
2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82339524
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one
CID 82190449
7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116998930
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
(3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one
CID 129387189
2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine
CID 117372167
2-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422361

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one (CID 117363131) is 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(CC3CCCCN3)cc21.
What is the InChIKey of 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is NXGGXAWVDIEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-13-9-11(5-6-14(13)17-15(10)18)8-12-4-2-3-7-16-12/h5-6,9-10,12,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one?
3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 117363131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).