1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one

C12H21NO2 — CID 58171936

IUPAC1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(=O)C1CCCCN1C(=O)C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-9(14)10-7-5-6-8-13(10)11(15)12(2,3)4/h10H,5-8H2,1-4H3
InChIKeyNJDNVYKSKMDNSV-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.00
Rot. Bonds1

About 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one

1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 58171936) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID58171936
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(=O)C1CCCCN1C(=O)C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-9(14)10-7-5-6-8-13(10)11(15)12(2,3)4/h10H,5-8H2,1-4H3
InChIKeyNJDNVYKSKMDNSV-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one 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

1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl 2-acetylpiperidine-1-carboxylate
CID 68919056
2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane
CID 145483080
N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 102867252
2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 177047890
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid
CID 66263390
1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone
CID 142882538
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206
1-(2,2-dimethylbutanoyl)azepane-2-carboxylic acid
CID 64559553

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one (CID 58171936) is 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one is CC(=O)C1CCCCN1C(=O)C(C)(C)C.
What is the InChIKey of 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is NJDNVYKSKMDNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(14)10-7-5-6-8-13(10)11(15)12(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 211.31 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58171936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).