N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide

C11H18N2O — CID 79155210

IUPACN-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide
SMILESC#CC(C)(C)NC(=O)N1CCCCC1
InChIInChI=1S/C11H18N2O/c1-4-11(2,3)12-10(14)13-8-6-5-7-9-13/h1H,5-9H2,2-3H3,(H,12,14)
InChIKeyIWAVWJSRBYJMCK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.59
Rot. Bonds1

About N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide

N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide (PubChem CID 79155210) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide
PubChem CID79155210
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide
SMILESC#CC(C)(C)NC(=O)N1CCCCC1
InChIInChI=1S/C11H18N2O/c1-4-11(2,3)12-10(14)13-8-6-5-7-9-13/h1H,5-9H2,2-3H3,(H,12,14)
InChIKeyIWAVWJSRBYJMCK-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116653730
N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrolidine-1-carboxamide
CID 104594555
3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
CID 64701995
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
CID 64700424
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide
CID 106096157
3,3,3-trifluoro-2-methyl-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 79793601
N-prop-2-ynylpyrrolidine-1-carboxamide
CID 112722494
N-[2-(4-chlorophenyl)propan-2-yl]azepane-1-carboxamide
CID 113216316
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
N-[3-(tert-butylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 115609267

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide (CID 79155210) is N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide is C#CC(C)(C)NC(=O)N1CCCCC1.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide?
The InChIKey is IWAVWJSRBYJMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-11(2,3)12-10(14)13-8-6-5-7-9-13/h1H,5-9H2,2-3H3,(H,12,14).
What are the key properties of N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide?
N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 79155210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).