3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one

C11H18N2O — CID 106224372

IUPAC3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one
SMILESC#CC(CC)N1CCCC(NC)C1=O
InChIInChI=1S/C11H18N2O/c1-4-9(5-2)13-8-6-7-10(12-3)11(13)14/h1,9-10,12H,5-8H2,2-3H3
InChIKeyFWUMTIZRYIOITJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds3

About 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one

3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one (PubChem CID 106224372) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one
PubChem CID106224372
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one
SMILESC#CC(CC)N1CCCC(NC)C1=O
InChIInChI=1S/C11H18N2O/c1-4-9(5-2)13-8-6-7-10(12-3)11(13)14/h1,9-10,12H,5-8H2,2-3H3
InChIKeyFWUMTIZRYIOITJ-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one
CID 106224382
3-(methylamino)-1-propan-2-ylazepan-2-one
CID 22984869
1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
CID 114420361
1-but-3-yn-2-yl-3-(propan-2-ylamino)piperidin-2-one
CID 114420364
3-bromo-1-hex-1-yn-3-ylpiperidin-2-one
CID 106223844
3-pent-1-yn-3-yl-1,3-oxazinan-2-one
CID 106226498
1-but-3-yn-2-yl-3-(cyclopropylamino)piperidin-2-one
CID 114420365
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 142158964
1-pent-1-yn-3-yl-1,3-diazinane-2,4-dione
CID 106225119
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
3,4-dimethyl-1-pent-1-yn-3-ylpyrrolidine-2,5-dione
CID 106226501
1-pent-1-yn-3-ylpyrrolidine
CID 90908432

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one?
The IUPAC name of 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one (CID 106224372) is 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one?
The canonical SMILES for 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one is C#CC(CC)N1CCCC(NC)C1=O.
What is the InChIKey of 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one?
The InChIKey is FWUMTIZRYIOITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-9(5-2)13-8-6-7-10(12-3)11(13)14/h1,9-10,12H,5-8H2,2-3H3.
What are the key properties of 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one?
3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one has a molecular weight of 194.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one is sourced from PubChem (CID 106224372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).