2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide

C13H26N2O2 — CID 134711652

IUPAC2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOCCCC1CCCCN1CC(=O)N(C)C
InChIInChI=1S/C13H26N2O2/c1-14(2)13(16)11-15-9-5-4-7-12(15)8-6-10-17-3/h12H,4-11H2,1-3H3
InChIKeyGVENQNCLMFSZQT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds6

About 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide

2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 134711652) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID134711652
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOCCCC1CCCCN1CC(=O)N(C)C
InChIInChI=1S/C13H26N2O2/c1-14(2)13(16)11-15-9-5-4-7-12(15)8-6-10-17-3/h12H,4-11H2,1-3H3
InChIKeyGVENQNCLMFSZQT-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567
(2R)-2-(3-methoxypropyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 164640382
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
2-(3-methoxypropyl)-1-pentylpyrrolidine
CID 167067724
N,N-dimethyl-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]acetamide
CID 171413887
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid
CID 62216161
[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 55243372
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide (CID 134711652) is 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide is COCCCC1CCCCN1CC(=O)N(C)C.
What is the InChIKey of 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is GVENQNCLMFSZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14(2)13(16)11-15-9-5-4-7-12(15)8-6-10-17-3/h12H,4-11H2,1-3H3.
What are the key properties of 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide?
2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 134711652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).