1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide

C12H22N2O2 — CID 47406835

IUPAC1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)11(16)14-7-5-6-9(8-14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyKRJGHXVLEOOUNE-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.02
Rot. Bonds1

About 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 47406835) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
PubChem CID47406835
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)11(16)14-7-5-6-9(8-14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyKRJGHXVLEOOUNE-UHFFFAOYSA-N
XLogP1.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94798800
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119479204
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119572161
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
N-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-3-carboxamide
CID 103944365
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853
2,2-dimethyl-1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119547113

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide (CID 47406835) is 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is KRJGHXVLEOOUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)11(16)14-7-5-6-9(8-14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 47406835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).