1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride

C15H21ClN2O2 — CID 119777882

IUPAC1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCOC1(C(=O)N2Cc3ccccc3C2)CCNCC1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-19-15(6-8-16-9-7-15)14(18)17-10-12-4-2-3-5-13(12)11-17;/h2-5,16H,6-11H2,1H3;1H
InChIKeyGZNNDHBAAHXAAQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.72
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride

1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride (PubChem CID 119777882) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
PubChem CID119777882
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCOC1(C(=O)N2Cc3ccccc3C2)CCNCC1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-19-15(6-8-16-9-7-15)14(18)17-10-12-4-2-3-5-13(12)11-17;/h2-5,16H,6-11H2,1H3;1H
InChIKeyGZNNDHBAAHXAAQ-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxypiperidin-4-yl)-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone
CID 119876960
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756702
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827990
3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783889
(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119878673
(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 119741426
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-methoxypiperidin-4-yl)methanone
CID 142475902
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119876180
(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 119730652

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride (CID 119777882) is 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride is COC1(C(=O)N2Cc3ccccc3C2)CCNCC1.Cl.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The InChIKey is GZNNDHBAAHXAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-19-15(6-8-16-9-7-15)14(18)17-10-12-4-2-3-5-13(12)11-17;/h2-5,16H,6-11H2,1H3;1H.
What are the key properties of 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119777882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).