1-piperidin-1-ylprop-2-yn-1-one

C8H11NO — CID 5093965

IUPAC1-piperidin-1-ylprop-2-yn-1-one
SMILESC#CC(=O)N1CCCCC1
InChIInChI=1S/C8H11NO/c1-2-8(10)9-6-4-3-5-7-9/h1H,3-7H2
InChIKeyVWWLWYUCGHGCAO-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.63
Rot. Bonds

About 1-piperidin-1-ylprop-2-yn-1-one

1-piperidin-1-ylprop-2-yn-1-one (PubChem CID 5093965) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-piperidin-1-ylprop-2-yn-1-one.

Molecular Properties

Compound Name1-piperidin-1-ylprop-2-yn-1-one
PubChem CID5093965
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-piperidin-1-ylprop-2-yn-1-one
SMILESC#CC(=O)N1CCCCC1
InChIInChI=1S/C8H11NO/c1-2-8(10)9-6-4-3-5-7-9/h1H,3-7H2
InChIKeyVWWLWYUCGHGCAO-UHFFFAOYSA-N
XLogP0.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Acetylpiperidine
CID 12058
1-(1-Piperidinyl)-1-propanone
CID 26421
1-(3-Ethynylpiperidin-1-yl)ethan-1-one
CID 87570544
Piperidine, 1-(1-oxo-2-butynyl)-
CID 549204
1-(2-Methylpiperidin-1-yl)but-2-yn-1-one
CID 13331596
1-(Prop-2-yn-1-yl)piperidin-2-one
CID 13289794
3-Iodo-1-(piperidin-1-yl)prop-2-yn-1-one
CID 21747407
Acetamide, N-methyl-N-[4-[4-fluoro-1-hexahydropyridyl]-2-butynyl]-
CID 535604
Acetamide, N-methyl-N-[4-(1-hexahydropyridyl)-2-butynyl]-
CID 558408
1-Piperidin-1-yl-2-trimethylgermylethanone
CID 14174776
1-Piperidin-1-yl-2,2-bis(trimethylgermyl)ethanone
CID 14174780
1-Piperidin-1-ylhept-2-yn-1-one
CID 14685121

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylprop-2-yn-1-one?
The IUPAC name of 1-piperidin-1-ylprop-2-yn-1-one (CID 5093965) is 1-piperidin-1-ylprop-2-yn-1-one.
What is the SMILES notation for 1-piperidin-1-ylprop-2-yn-1-one?
The canonical SMILES for 1-piperidin-1-ylprop-2-yn-1-one is C#CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylprop-2-yn-1-one?
The InChIKey is VWWLWYUCGHGCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-8(10)9-6-4-3-5-7-9/h1H,3-7H2.
What are the key properties of 1-piperidin-1-ylprop-2-yn-1-one?
1-piperidin-1-ylprop-2-yn-1-one has a molecular weight of 137.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylprop-2-yn-1-one is sourced from PubChem (CID 5093965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).