N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

C17H24N2O3 — CID 108523337

IUPACN-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCCN1C(=O)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-14-7-5-6-10-19(14)17(22)16(21)18(11-12-20)13-15-8-3-2-4-9-15/h2-4,8-9,14,20H,5-7,10-13H2,1H3
InChIKeyGRWSGTMCKHMSNG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.41
Rot. Bonds4

About N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108523337) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108523337
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCCN1C(=O)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-14-7-5-6-10-19(14)17(22)16(21)18(11-12-20)13-15-8-3-2-4-9-15/h2-4,8-9,14,20H,5-7,10-13H2,1H3
InChIKeyGRWSGTMCKHMSNG-UHFFFAOYSA-N
XLogP1.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
CID 111751499
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
N-benzyl-N-(2-hydroxyethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78855278
2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid
CID 175063335
N-butyl-2-(2-methylpiperidin-1-yl)-2-oxo-N-propylacetamide
CID 108521523
tert-butyl 2-[benzyl(2-hydroxyethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 78854083
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654
N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide
CID 2422869
N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503471

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (CID 108523337) is N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCCCN1C(=O)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is GRWSGTMCKHMSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14-7-5-6-10-19(14)17(22)16(21)18(11-12-20)13-15-8-3-2-4-9-15/h2-4,8-9,14,20H,5-7,10-13H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).