2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone

C16H22N2O2 — CID 102957540

IUPAC2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc3c(c2)CNC3)CCC1C
InChIInChI=1S/C16H22N2O2/c1-11-5-6-18(10-15(11)20-2)16(19)12-3-4-13-8-17-9-14(13)7-12/h3-4,7,11,15,17H,5-6,8-10H2,1-2H3
InChIKeyHPNLXUDJBJOWDH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.79
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone

2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102957540) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102957540
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc3c(c2)CNC3)CCC1C
InChIInChI=1S/C16H22N2O2/c1-11-5-6-18(10-15(11)20-2)16(19)12-3-4-13-8-17-9-14(13)7-12/h3-4,7,11,15,17H,5-6,8-10H2,1-2H3
InChIKeyHPNLXUDJBJOWDH-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677604
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 114678333
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998831
1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 107217446
2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
CID 103998035
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998528
[3-(3-hydroxyprop-1-ynyl)phenyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102963979
(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954965
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102971176
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102957540) is 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2ccc3c(c2)CNC3)CCC1C.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is HPNLXUDJBJOWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-5-6-18(10-15(11)20-2)16(19)12-3-4-13-8-17-9-14(13)7-12/h3-4,7,11,15,17H,5-6,8-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone?
2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102957540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).