N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide

C13H24N2O2 — CID 174668972

IUPACN-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC(C=O)C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)11(9-16)14-12(17)10-5-7-15(4)8-6-10/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyCPCFBGMENBBREX-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds3

About N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide

N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide (PubChem CID 174668972) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide
PubChem CID174668972
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC(C=O)C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)11(9-16)14-12(17)10-5-7-15(4)8-6-10/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyCPCFBGMENBBREX-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 110837238
(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
CID 110837241
N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide
CID 162747705
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 81003648
N-(2-amino-1-cyclohexylethyl)-1-methylpiperidine-4-carboxamide
CID 119591982
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
ethane;1-methylpiperidine-4-carbothioic S-acid
CID 142071667
1-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
CID 153459282
[(1-methylpiperidine-4-carbonyl)amino]thiourea
CID 45097493
1-methyl-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 115277550

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide (CID 174668972) is N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NC(C=O)C(C)(C)C)CC1.
What is the InChIKey of N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide?
The InChIKey is CPCFBGMENBBREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)11(9-16)14-12(17)10-5-7-15(4)8-6-10/h9-11H,5-8H2,1-4H3,(H,14,17).
What are the key properties of N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide?
N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-oxobutan-2-yl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 174668972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).