1-(cycloocten-1-yl)-2-piperidin-3-ylethanone

C15H25NO — CID 106655260

IUPAC1-(cycloocten-1-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)C1=CCCCCCC1
InChIInChI=1S/C15H25NO/c17-15(11-13-7-6-10-16-12-13)14-8-4-2-1-3-5-9-14/h8,13,16H,1-7,9-12H2
InChIKeyUMAVOVZOKQUAMU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.23
Rot. Bonds3

About 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone

1-(cycloocten-1-yl)-2-piperidin-3-ylethanone (PubChem CID 106655260) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-piperidin-3-ylethanone
PubChem CID106655260
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(cycloocten-1-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)C1=CCCCCCC1
InChIInChI=1S/C15H25NO/c17-15(11-13-7-6-10-16-12-13)14-8-4-2-1-3-5-9-14/h8,13,16H,1-7,9-12H2
InChIKeyUMAVOVZOKQUAMU-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one
CID 106655243
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-3-ylacetamide
CID 55105005
azetidin-3-yl(cycloocten-1-yl)methanone
CID 106655454
3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
CID 62078476
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
1-(cyclohepten-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 106655553
cycloocten-1-yl(pyrrolidin-2-yl)methanone
CID 106655084
2-piperidin-3-yl-1-thiophen-3-ylethanone
CID 116564139
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
1-(2,3-dimethylphenyl)-2-piperidin-3-ylethanone
CID 116564167
1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564116
1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
CID 107514868

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone (CID 106655260) is 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone is O=C(CC1CCCNC1)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone?
The InChIKey is UMAVOVZOKQUAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-15(11-13-7-6-10-16-12-13)14-8-4-2-1-3-5-9-14/h8,13,16H,1-7,9-12H2.
What are the key properties of 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone?
1-(cycloocten-1-yl)-2-piperidin-3-ylethanone has a molecular weight of 235.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 106655260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).