4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one

C15H19NO — CID 167627647

IUPAC4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one
SMILESC=C1CCN(c2ccc(C(C)C)cc2)C(=O)C1
InChIInChI=1S/C15H19NO/c1-11(2)13-4-6-14(7-5-13)16-9-8-12(3)10-15(16)17/h4-7,11H,3,8-10H2,1-2H3
InChIKeyNIJHBXHSERMXEC-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.49
Rot. Bonds2

About 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one

4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one (PubChem CID 167627647) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one.

Molecular Properties

Compound Name4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one
PubChem CID167627647
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one
SMILESC=C1CCN(c2ccc(C(C)C)cc2)C(=O)C1
InChIInChI=1S/C15H19NO/c1-11(2)13-4-6-14(7-5-13)16-9-8-12(3)10-15(16)17/h4-7,11H,3,8-10H2,1-2H3
InChIKeyNIJHBXHSERMXEC-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylidene-1-phenylpiperidin-2-one;2-methylpropane
CID 167704846
1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462
3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64956447
1-(4-propan-2-ylphenyl)pyrrolidin-3-one
CID 43314770
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
1-[4-(7,7-dimethyl-2-oxooctoxy)phenyl]-4-methylidenepiperidin-2-one
CID 167629095
1-(4-propan-2-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708079
5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one
CID 82471847
(3S)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate
CID 6936682
4-methylidene-1-(2-methylpropyl)piperidin-2-one
CID 89380610
3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 24715958
carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one
CID 158537394

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one?
The IUPAC name of 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one (CID 167627647) is 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one.
What is the SMILES notation for 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one?
The canonical SMILES for 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one is C=C1CCN(c2ccc(C(C)C)cc2)C(=O)C1.
What is the InChIKey of 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one?
The InChIKey is NIJHBXHSERMXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(2)13-4-6-14(7-5-13)16-9-8-12(3)10-15(16)17/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one?
4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one is sourced from PubChem (CID 167627647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).