2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide

C12H25N3O — CID 114448901

IUPAC2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCN(C)CC1C
InChIInChI=1S/C12H25N3O/c1-5-15(4)12(16)8-13-11-6-7-14(3)9-10(11)2/h10-11,13H,5-9H2,1-4H3
InChIKeyRAEMDBDZAURNMP-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.39
Rot. Bonds4

About 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide

2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 114448901) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID114448901
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCN(C)CC1C
InChIInChI=1S/C12H25N3O/c1-5-15(4)12(16)8-13-11-6-7-14(3)9-10(11)2/h10-11,13H,5-9H2,1-4H3
InChIKeyRAEMDBDZAURNMP-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine
CID 114503399
2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 43309660
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103268593
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115707984
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
N-ethyl-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-methylacetamide
CID 94415851
4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid
CID 114503544
2-(cyclopropylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63273590
2-[(3,4-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 64743255
N-(4-chlorophenyl)-2-[(1,3-dimethylpiperidin-4-yl)amino]acetamide
CID 115713823
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
N,N-dimethyl-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
CID 61462384

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide (CID 114448901) is 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNC1CCN(C)CC1C.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is RAEMDBDZAURNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-15(4)12(16)8-13-11-6-7-14(3)9-10(11)2/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide?
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 114448901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).