6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one

C14H18N2O — CID 164752596

IUPAC6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one
SMILESCC1CCC(c2ccc3c(c2)C(=O)NC3)NC1
InChIInChI=1S/C14H18N2O/c1-9-2-5-13(15-7-9)10-3-4-11-8-16-14(17)12(11)6-10/h3-4,6,9,13,15H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyPXSFJSPUXOKKNI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.99
Rot. Bonds1

About 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one

6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 164752596) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one
PubChem CID164752596
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one
SMILESCC1CCC(c2ccc3c(c2)C(=O)NC3)NC1
InChIInChI=1S/C14H18N2O/c1-9-2-5-13(15-7-9)10-3-4-11-8-16-14(17)12(11)6-10/h3-4,6,9,13,15H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyPXSFJSPUXOKKNI-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-methylpiperidin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164753190
2-(1-methylpiperidin-4-yl)-6-[(5S)-5-methylpiperidin-2-yl]-3H-isoindol-1-one
CID 164753272
(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
CID 170904340
2-fluoro-4-(5-methylpiperidin-2-yl)phenol
CID 164750952
CID 174054628
CID 174054628
2-(3-cyclobutylphenyl)-5-methylpiperidine
CID 114606010
4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol
CID 164753784
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
6-bromo-2,3-dihydroisoindol-1-one
CID 22220919
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
CID 164750446
6-(dimethylamino)-2,3-dihydroisoindol-1-one
CID 50941193
2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one (CID 164752596) is 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one is CC1CCC(c2ccc3c(c2)C(=O)NC3)NC1.
What is the InChIKey of 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is PXSFJSPUXOKKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-2-5-13(15-7-9)10-3-4-11-8-16-14(17)12(11)6-10/h3-4,6,9,13,15H,2,5,7-8H2,1H3,(H,16,17).
What are the key properties of 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one?
6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 230.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 164752596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).