2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide

C14H26N4O2 — CID 122154524

IUPAC2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC2CCC1CN2CC(=O)N(C)C
InChIInChI=1S/C14H26N4O2/c1-15(2)13(19)9-17-7-12-6-5-11(17)8-18(12)10-14(20)16(3)4/h11-12H,5-10H2,1-4H3
InChIKeyFSBSJWVTMOHAHU-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.69
Rot. Bonds4

About 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide

2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide (PubChem CID 122154524) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide
PubChem CID122154524
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC2CCC1CN2CC(=O)N(C)C
InChIInChI=1S/C14H26N4O2/c1-15(2)13(19)9-17-7-12-6-5-11(17)8-18(12)10-14(20)16(3)4/h11-12H,5-10H2,1-4H3
InChIKeyFSBSJWVTMOHAHU-UHFFFAOYSA-N
XLogP-0.69
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide 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,N-dimethyl-2-(2-methylpyrrolidin-1-yl)acetamide
CID 130669974
2-[2-(dimethylamino)-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895091
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567
2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide
CID 139421592
2-(2,5-dimethylpyrrolidin-1-yl)-N,N-dimethylacetamide
CID 126990033
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351672
1-[2-(dimethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786056
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide (CID 122154524) is 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CC2CCC1CN2CC(=O)N(C)C.
What is the InChIKey of 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide?
The InChIKey is FSBSJWVTMOHAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-15(2)13(19)9-17-7-12-6-5-11(17)8-18(12)10-14(20)16(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide?
2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide has a molecular weight of 282.39 g/mol, XLogP of -0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 122154524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).