2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

C17H25ClN2O4 — CID 120892133

IUPAC2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)Cc2ccc3c(c2)OCO3)CCNCC1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-21-11-17(4-6-18-7-5-17)10-19-16(20)9-13-2-3-14-15(8-13)23-12-22-14;/h2-3,8,18H,4-7,9-12H2,1H3,(H,19,20);1H
InChIKeyCXAFNYYJJZTJOT-UHFFFAOYSA-N
MW356.85 g/mol
LogP1.51
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride

2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (PubChem CID 120892133) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
PubChem CID120892133
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCOCC1(CNC(=O)Cc2ccc3c(c2)OCO3)CCNCC1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-21-11-17(4-6-18-7-5-17)10-19-16(20)9-13-2-3-14-15(8-13)23-12-22-14;/h2-3,8,18H,4-7,9-12H2,1H3,(H,19,20);1H
InChIKeyCXAFNYYJJZTJOT-UHFFFAOYSA-N
XLogP1.51
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120887242
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide;hydrochloride
CID 120888032
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 115271331
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide
CID 120888033
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120888271
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
2-(2,5-dimethoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891146
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
CID 120887674
N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 120891329
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride (CID 120892133) is 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is COCC1(CNC(=O)Cc2ccc3c(c2)OCO3)CCNCC1.Cl.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is CXAFNYYJJZTJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-21-11-17(4-6-18-7-5-17)10-19-16(20)9-13-2-3-14-15(8-13)23-12-22-14;/h2-3,8,18H,4-7,9-12H2,1H3,(H,19,20);1H.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride?
2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120892133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).