5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one

C11H18N2O — CID 130944275

IUPAC5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one
SMILESCC#CCNC1CCC(=O)NC1(C)C
InChIInChI=1S/C11H18N2O/c1-4-5-8-12-9-6-7-10(14)13-11(9,2)3/h9,12H,6-8H2,1-3H3,(H,13,14)
InChIKeyUAKBWEFSUKYZKJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.66
Rot. Bonds2

About 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one

5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one (PubChem CID 130944275) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one.

Molecular Properties

Compound Name5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one
PubChem CID130944275
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one
SMILESCC#CCNC1CCC(=O)NC1(C)C
InChIInChI=1S/C11H18N2O/c1-4-5-8-12-9-6-7-10(14)13-11(9,2)3/h9,12H,6-8H2,1-3H3,(H,13,14)
InChIKeyUAKBWEFSUKYZKJ-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropylmethylamino)-6,6-dimethylpiperidin-2-one
CID 126987615
5-(1-hydroxypropan-2-ylamino)-6,6-dimethylpiperidin-2-one
CID 130736729
N-(2,2-dimethyl-6-oxopiperidin-3-yl)-2-(1-hydroxycyclobutyl)acetamide
CID 154764407
5-pent-3-ynylpyrrolidin-2-one
CID 11217347
(5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one
CID 164636682
6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one
CID 126805966
(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103905893
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003
2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate
CID 126799155
4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide
CID 164631747
5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-6,6-dimethylpiperidin-2-one
CID 126807805
4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one
CID 138039752

Frequently Asked Questions

What is the IUPAC name of 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one?
The IUPAC name of 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one (CID 130944275) is 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one.
What is the SMILES notation for 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one?
The canonical SMILES for 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one is CC#CCNC1CCC(=O)NC1(C)C.
What is the InChIKey of 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one?
The InChIKey is UAKBWEFSUKYZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-5-8-12-9-6-7-10(14)13-11(9,2)3/h9,12H,6-8H2,1-3H3,(H,13,14).
What are the key properties of 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one?
5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one has a molecular weight of 194.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one is sourced from PubChem (CID 130944275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).