N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride

C17H26ClN3O2 — CID 119778235

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-18-12-16(21)19-13-17(22)20-9-7-15(8-10-20)11-14-5-3-2-4-6-14;/h2-6,15,18H,7-13H2,1H3,(H,19,21);1H
InChIKeyJOTQLUDHDPRROU-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.23
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119778235) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119778235
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-18-12-16(21)19-13-17(22)20-9-7-15(8-10-20)11-14-5-3-2-4-6-14;/h2-6,15,18H,7-13H2,1H3,(H,19,21);1H
InChIKeyJOTQLUDHDPRROU-UHFFFAOYSA-N
XLogP1.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
1-benzyl-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methylguanidine
CID 111749720
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide
CID 71983019
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119320484
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523991
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111749873

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride (CID 119778235) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1.Cl.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is JOTQLUDHDPRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-18-12-16(21)19-13-17(22)20-9-7-15(8-10-20)11-14-5-3-2-4-6-14;/h2-6,15,18H,7-13H2,1H3,(H,19,21);1H.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119778235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).