N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide

C12H22N2O2 — CID 79396383

IUPACN-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)11(15)8-14-6-4-10(5-7-14)12(16)13-3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyBMAGYAVUIXMPHS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds4

About N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide

N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide (PubChem CID 79396383) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
PubChem CID79396383
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)11(15)8-14-6-4-10(5-7-14)12(16)13-3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyBMAGYAVUIXMPHS-UHFFFAOYSA-N
XLogP0.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
N-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 42542173
3-methyl-4-[4-(methylcarbamoyl)piperidin-1-yl]but-2-enoic acid
CID 77005834
N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 42542709
N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 42542254
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide (CID 79396383) is N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide is CNC(=O)C1CCN(CC(=O)C(C)C)CC1.
What is the InChIKey of N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide?
The InChIKey is BMAGYAVUIXMPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)11(15)8-14-6-4-10(5-7-14)12(16)13-3/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide?
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide is sourced from PubChem (CID 79396383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).