4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride

C16H24ClN3O3 — CID 119396958

IUPAC4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
SMILESCNCC1CCCN(C(=O)COc2ccc(C(N)=O)cc2)C1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-18-9-12-3-2-8-19(10-12)15(20)11-22-14-6-4-13(5-7-14)16(17)21;/h4-7,12,18H,2-3,8-11H2,1H3,(H2,17,21);1H
InChIKeyAZAHZQUPWFEXSR-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.04
Rot. Bonds6

About 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride

4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride (PubChem CID 119396958) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
PubChem CID119396958
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
SMILESCNCC1CCCN(C(=O)COc2ccc(C(N)=O)cc2)C1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-18-9-12-3-2-8-19(10-12)15(20)11-22-14-6-4-13(5-7-14)16(17)21;/h4-7,12,18H,2-3,8-11H2,1H3,(H2,17,21);1H
InChIKeyAZAHZQUPWFEXSR-UHFFFAOYSA-N
XLogP1.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538325
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538326
2-(4-chlorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63263451
[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826
4-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119394876
[3-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119398196
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119538911
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124613081
3-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395321
1-[3-(methylaminomethyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 119395870
3-(4-fluorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395905

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride?
The IUPAC name of 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride (CID 119396958) is 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride.
What is the SMILES notation for 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride?
The canonical SMILES for 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride is CNCC1CCCN(C(=O)COc2ccc(C(N)=O)cc2)C1.Cl.
What is the InChIKey of 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride?
The InChIKey is AZAHZQUPWFEXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-18-9-12-3-2-8-19(10-12)15(20)11-22-14-6-4-13(5-7-14)16(17)21;/h4-7,12,18H,2-3,8-11H2,1H3,(H2,17,21);1H.
What are the key properties of 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride?
4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride is sourced from PubChem (CID 119396958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).