N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide

C12H22N2O2 — CID 78994366

IUPACN-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H22N2O2/c1-5-12(2,3)14(4)11(16)9-6-7-10(15)13-8-9/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyHMEMPLYMWHBLIH-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds3

About N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide

N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 78994366) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID78994366
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H22N2O2/c1-5-12(2,3)14(4)11(16)9-6-7-10(15)13-8-9/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyHMEMPLYMWHBLIH-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 81484591
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119655986
N-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728719
N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 78968206
N-methyl-6-oxo-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 112728459
N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 115636243
2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193576
N-methyl-6-oxo-N-(piperidin-4-ylmethyl)piperidine-3-carboxamide
CID 83192838
N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
CID 79039671
N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 115691430
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112729310
N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 78971176

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide (CID 78994366) is N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide is CCC(C)(C)N(C)C(=O)C1CCC(=O)NC1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is HMEMPLYMWHBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-12(2,3)14(4)11(16)9-6-7-10(15)13-8-9/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78994366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).