2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

C17H26ClN3O4 — CID 120892177

IUPAC2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccccc2OCC(N)=O)CCNCC1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-23-12-17(6-8-19-9-7-17)11-20-16(22)13-4-2-3-5-14(13)24-10-15(18)21;/h2-5,19H,6-12H2,1H3,(H2,18,21)(H,20,22);1H
InChIKeyPGAVRHPFAWKHDF-UHFFFAOYSA-N
MW371.87 g/mol
LogP0.72
Rot. Bonds8

About 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (PubChem CID 120892177) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
PubChem CID120892177
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC Name2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccccc2OCC(N)=O)CCNCC1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-23-12-17(6-8-19-9-7-17)11-20-16(22)13-4-2-3-5-14(13)24-10-15(18)21;/h2-5,19H,6-12H2,1H3,(H2,18,21)(H,20,22);1H
InChIKeyPGAVRHPFAWKHDF-UHFFFAOYSA-N
XLogP0.72
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120891916
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 120891792
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
CID 120889018
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120887407
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (CID 120892177) is 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is COCC1(CNC(=O)c2ccccc2OCC(N)=O)CCNCC1.Cl.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The InChIKey is PGAVRHPFAWKHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4.ClH/c1-23-12-17(6-8-19-9-7-17)11-20-16(22)13-4-2-3-5-14(13)24-10-15(18)21;/h2-5,19H,6-12H2,1H3,(H2,18,21)(H,20,22);1H.
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120892177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).