4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one

C14H18N2O — CID 117332934

IUPAC4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(CC3CCCCN3)cccc2N1
InChIInChI=1S/C14H18N2O/c17-14-9-12-10(4-3-6-13(12)16-14)8-11-5-1-2-7-15-11/h3-4,6,11,15H,1-2,5,7-9H2,(H,16,17)
InChIKeyJTJDYULOAQBHTC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.87
Rot. Bonds2

About 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one

4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 117332934) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID117332934
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(CC3CCCCN3)cccc2N1
InChIInChI=1S/C14H18N2O/c17-14-9-12-10(4-3-6-13(12)16-14)8-11-5-1-2-7-15-11/h3-4,6,11,15H,1-2,5,7-9H2,(H,16,17)
InChIKeyJTJDYULOAQBHTC-UHFFFAOYSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-2-ylmethyl)aniline
CID 84662844
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
CID 70333765
4-(3-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 69191939
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
(3R)-3-[[(2S)-piperidin-2-yl]methyl]-1,3-dihydroindol-2-one
CID 129387189
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
7-(pyrrolidin-2-ylmethyl)-1,3-benzoxathiol-2-one
CID 117342600
[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol
CID 117118115
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one (CID 117332934) is 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one is O=C1Cc2c(CC3CCCCN3)cccc2N1.
What is the InChIKey of 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is JTJDYULOAQBHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14-9-12-10(4-3-6-13(12)16-14)8-11-5-1-2-7-15-11/h3-4,6,11,15H,1-2,5,7-9H2,(H,16,17).
What are the key properties of 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one?
4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 117332934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).