N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide

C11H21N3O2 — CID 62330298

IUPACN-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)NCCN)C(C)C1
InChIInChI=1S/C11H21N3O2/c1-8-3-6-14(9(2)7-8)11(16)10(15)13-5-4-12/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyMZRZXICSYFHVCT-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds2

About N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 62330298) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID62330298
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)NCCN)C(C)C1
InChIInChI=1S/C11H21N3O2/c1-8-3-6-14(9(2)7-8)11(16)10(15)13-5-4-12/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyMZRZXICSYFHVCT-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide
CID 60973782
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
N-(2-aminoethyl)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoacetamide
CID 79931298
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
CID 130690746
N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide
CID 107411052
6-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 62331104
2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290621
methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
CID 145048176
methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665
tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate
CID 62330169
N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523374
ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate
CID 55061328

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 62330298) is N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CCN(C(=O)C(=O)NCCN)C(C)C1.
What is the InChIKey of N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is MZRZXICSYFHVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-3-6-14(9(2)7-8)11(16)10(15)13-5-4-12/h8-9H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 62330298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).