1-piperidin-4-ylpent-4-yn-2-one

C10H15NO — CID 116559802

IUPAC1-piperidin-4-ylpent-4-yn-2-one
SMILESC#CCC(=O)CC1CCNCC1
InChIInChI=1S/C10H15NO/c1-2-3-10(12)8-9-4-6-11-7-5-9/h1,9,11H,3-8H2
InChIKeyGCWDMIMYBSHIHS-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.97
Rot. Bonds3

About 1-piperidin-4-ylpent-4-yn-2-one

1-piperidin-4-ylpent-4-yn-2-one (PubChem CID 116559802) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-piperidin-4-ylpent-4-yn-2-one.

Molecular Properties

Compound Name1-piperidin-4-ylpent-4-yn-2-one
PubChem CID116559802
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-piperidin-4-ylpent-4-yn-2-one
SMILESC#CCC(=O)CC1CCNCC1
InChIInChI=1S/C10H15NO/c1-2-3-10(12)8-9-4-6-11-7-5-9/h1,9,11H,3-8H2
InChIKeyGCWDMIMYBSHIHS-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.97
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

2-piperidin-4-yl-N-prop-2-ynylacetamide
CID 61028682
1-piperidin-4-ylbut-3-en-2-one
CID 116559893
1-piperidin-4-ylhept-5-yn-2-one
CID 116560051
1-piperidin-4-ylhexan-2-one
CID 116559845
6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one
CID 116559967
1-piperidin-4-ylundecan-2-one
CID 116559812
2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427974
1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583468
1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
CID 116559958
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
ethynyl 3-piperidin-4-ylpropanoate
CID 174561652
1-cycloheptylhex-5-yn-2-one
CID 114972742

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpent-4-yn-2-one?
The IUPAC name of 1-piperidin-4-ylpent-4-yn-2-one (CID 116559802) is 1-piperidin-4-ylpent-4-yn-2-one.
What is the SMILES notation for 1-piperidin-4-ylpent-4-yn-2-one?
The canonical SMILES for 1-piperidin-4-ylpent-4-yn-2-one is C#CCC(=O)CC1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpent-4-yn-2-one?
The InChIKey is GCWDMIMYBSHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-10(12)8-9-4-6-11-7-5-9/h1,9,11H,3-8H2.
What are the key properties of 1-piperidin-4-ylpent-4-yn-2-one?
1-piperidin-4-ylpent-4-yn-2-one has a molecular weight of 165.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpent-4-yn-2-one is sourced from PubChem (CID 116559802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).