N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

C12H23N3O2 — CID 108523021

IUPACN-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)NCCN(C)C)C1
InChIInChI=1S/C12H23N3O2/c1-10-5-4-7-15(9-10)12(17)11(16)13-6-8-14(2)3/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyKJCZLUAEQWNQAV-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.08
Rot. Bonds3

About N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108523021) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108523021
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)NCCN(C)C)C1
InChIInChI=1S/C12H23N3O2/c1-10-5-4-7-15(9-10)12(17)11(16)13-6-8-14(2)3/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyKJCZLUAEQWNQAV-UHFFFAOYSA-N
XLogP-0.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.08
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-(3-chloropropyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108513687
ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate
CID 108521928
N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520549
2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide
CID 108508416
N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109016229
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
N-[2-(dimethylamino)ethyl]-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109096331
N,3-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 79163646
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518107
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
N-[2-(dimethylamino)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109083608
N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522874

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (CID 108523021) is N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCCN(C(=O)C(=O)NCCN(C)C)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is KJCZLUAEQWNQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10-5-4-7-15(9-10)12(17)11(16)13-6-8-14(2)3/h10H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 241.33 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).