1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one

C12H20N2O — CID 114420361

IUPAC1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
SMILESC#CC(C)N1CCCC(NCCC)C1=O
InChIInChI=1S/C12H20N2O/c1-4-8-13-11-7-6-9-14(12(11)15)10(3)5-2/h2,10-11,13H,4,6-9H2,1,3H3
InChIKeyIJDYRZWXPABTHF-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.00
Rot. Bonds4

About 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one

1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one (PubChem CID 114420361) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
PubChem CID114420361
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
SMILESC#CC(C)N1CCCC(NCCC)C1=O
InChIInChI=1S/C12H20N2O/c1-4-8-13-11-7-6-9-14(12(11)15)10(3)5-2/h2,10-11,13H,4,6-9H2,1,3H3
InChIKeyIJDYRZWXPABTHF-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.00
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

1-but-3-yn-2-yl-3-(propan-2-ylamino)piperidin-2-one
CID 114420364
1-but-3-yn-2-yl-3-(cyclopropylamino)piperidin-2-one
CID 114420365
1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
CID 79267296
1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
CID 64641741
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
CID 106357929
3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one
CID 106224372
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
CID 115408790
1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
CID 114152228
1-(4-methylsulfanylbutyl)-3-(propylamino)piperidin-2-one
CID 113488293
3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide
CID 106098556
1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one
CID 106187223
3-bromo-1-hex-1-yn-3-ylpiperidin-2-one
CID 106223844

Frequently Asked Questions

What is the IUPAC name of 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one (CID 114420361) is 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one is C#CC(C)N1CCCC(NCCC)C1=O.
What is the InChIKey of 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one?
The InChIKey is IJDYRZWXPABTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-8-13-11-7-6-9-14(12(11)15)10(3)5-2/h2,10-11,13H,4,6-9H2,1,3H3.
What are the key properties of 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one?
1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 114420361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).