1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one

C10H13NO — CID 130679963

IUPAC1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCC(C=C)CC1
InChIInChI=1S/C10H13NO/c1-3-9-5-7-11(8-6-9)10(12)4-2/h2-3,9H,1,5-8H2
InChIKeyMNSNZERSLFEVOH-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.04
Rot. Bonds1

About 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one

1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one (PubChem CID 130679963) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one
PubChem CID130679963
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCC(C=C)CC1
InChIInChI=1S/C10H13NO/c1-3-9-5-7-11(8-6-9)10(12)4-2/h2-3,9H,1,5-8H2
InChIKeyMNSNZERSLFEVOH-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpiperidin-1-yl)prop-2-yn-1-one
CID 126997659
1-(4-prop-2-ynoylpiperazin-1-yl)prop-2-yn-1-one
CID 45115788
1-(4-cyclobutylpiperidin-1-yl)prop-2-yn-1-one
CID 164651452
1-(azetidin-1-yl)prop-2-yn-1-one
CID 131225344
2-(1-prop-2-ynoylpiperidin-4-yl)acetic acid
CID 79615662
4-ethenyl-N-methoxypiperidine-1-carboxamide
CID 127013276
2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120977278
2-(4-ethenylpiperidin-1-yl)acetic acid;hydrochloride
CID 131134631
1-[4-(3-aminopropoxy)piperidin-1-yl]prop-2-yn-1-one
CID 79735337
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
4-ethenylcyclohexane-1-carboxylic acid
CID 18538169
1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one
CID 81456843

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one?
The IUPAC name of 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one (CID 130679963) is 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one.
What is the SMILES notation for 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one?
The canonical SMILES for 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one is C#CC(=O)N1CCC(C=C)CC1.
What is the InChIKey of 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one?
The InChIKey is MNSNZERSLFEVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-9-5-7-11(8-6-9)10(12)4-2/h2-3,9H,1,5-8H2.
What are the key properties of 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one?
1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one has a molecular weight of 163.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylpiperidin-1-yl)prop-2-yn-1-one is sourced from PubChem (CID 130679963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).