2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide

C11H22N2O — CID 127272826

IUPAC2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(C)(C)CC1
InChIInChI=1S/C11H22N2O/c1-11(2)5-7-13(8-6-11)9-10(14)12(3)4/h5-9H2,1-4H3
InChIKeyVRCLKIZIGUULHT-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds2

About 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide

2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide (PubChem CID 127272826) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide
PubChem CID127272826
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(C)(C)CC1
InChIInChI=1S/C11H22N2O/c1-11(2)5-7-13(8-6-11)9-10(14)12(3)4/h5-9H2,1-4H3
InChIKeyVRCLKIZIGUULHT-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
CID 127011721
N,N-dimethyl-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 112683880
N,N-dimethyl-2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]acetamide;ethane
CID 142367549
2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030679
4,7-bis(carboxymethyl)-10-[2-(dimethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylic acid
CID 20603350
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636
cis-(1R,3S)-3-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390415

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide (CID 127272826) is 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is VRCLKIZIGUULHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)5-7-13(8-6-11)9-10(14)12(3)4/h5-9H2,1-4H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide?
2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 198.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 127272826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).