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

C14H18N2O — CID 82231323

IUPAC5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CC3CCNCC3)ccc2N1
InChIInChI=1S/C14H18N2O/c17-14-9-12-8-11(1-2-13(12)16-14)7-10-3-5-15-6-4-10/h1-2,8,10,15H,3-7,9H2,(H,16,17)
InChIKeyBJJSHIBINIIIBD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.72
Rot. Bonds2

About 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one

5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 82231323) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID82231323
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CC3CCNCC3)ccc2N1
InChIInChI=1S/C14H18N2O/c17-14-9-12-8-11(1-2-13(12)16-14)7-10-3-5-15-6-4-10/h1-2,8,10,15H,3-7,9H2,(H,16,17)
InChIKeyBJJSHIBINIIIBD-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one
CID 116926337
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one (CID 82231323) is 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(CC3CCNCC3)ccc2N1.
What is the InChIKey of 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is BJJSHIBINIIIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14-9-12-8-11(1-2-13(12)16-14)7-10-3-5-15-6-4-10/h1-2,8,10,15H,3-7,9H2,(H,16,17).
What are the key properties of 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one?
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82231323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).