4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide

C12H22N2O — CID 106186997

IUPAC4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
SMILESCC(C)=CCNC(=O)C1CC(C)CCN1
InChIInChI=1S/C12H22N2O/c1-9(2)4-6-14-12(15)11-8-10(3)5-7-13-11/h4,10-11,13H,5-8H2,1-3H3,(H,14,15)
InChIKeyPLCCBEDZURSJRR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds3

About 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide

4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide (PubChem CID 106186997) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
PubChem CID106186997
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
SMILESCC(C)=CCNC(=O)C1CC(C)CCN1
InChIInChI=1S/C12H22N2O/c1-9(2)4-6-14-12(15)11-8-10(3)5-7-13-11/h4,10-11,13H,5-8H2,1-3H3,(H,14,15)
InChIKeyPLCCBEDZURSJRR-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide
CID 114424559
4-methylpiperidine-2-carbohydrazide
CID 114424068
N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
4-methyl-N-[(3-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114130671
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667
4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114424364
2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 114424387
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide (CID 106186997) is 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide is CC(C)=CCNC(=O)C1CC(C)CCN1.
What is the InChIKey of 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide?
The InChIKey is PLCCBEDZURSJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)4-6-14-12(15)11-8-10(3)5-7-13-11/h4,10-11,13H,5-8H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide?
4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide is sourced from PubChem (CID 106186997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).