3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one

C15H19NO2 — CID 10847959

IUPAC3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one
SMILESC=C1CCCN(CCOCc2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-13-6-5-9-16(15(13)17)10-11-18-12-14-7-3-2-4-8-14/h2-4,7-8H,1,5-6,9-12H2
InChIKeyXVQGKJQWXKLREK-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.38
Rot. Bonds5

About 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one

3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one (PubChem CID 10847959) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one
PubChem CID10847959
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one
SMILESC=C1CCCN(CCOCc2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-13-6-5-9-16(15(13)17)10-11-18-12-14-7-3-2-4-8-14/h2-4,7-8H,1,5-6,9-12H2
InChIKeyXVQGKJQWXKLREK-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-Morpholin-4-yl-4-oxobutyl) benzoate
CID 658750
Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
CID 3760481
Benzyl 4-methylidenepiperidine-1-carboxylate
CID 15519136
Benzyl piperidine-1-carboxylate
CID 228749
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
Methyl N-Cbz-piperidine-2-carboxylate
CID 11011289
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 52113406
N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide
CID 46943031
Cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53037944
Cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53037945
1-(4-{2-[(4-Fluorophenyl)methoxy]ethyl}piperidin-1-YL)-3-methylbutan-1-one
CID 53150602

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one?
The IUPAC name of 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one (CID 10847959) is 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one.
What is the SMILES notation for 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one?
The canonical SMILES for 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one is C=C1CCCN(CCOCc2ccccc2)C1=O.
What is the InChIKey of 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one?
The InChIKey is XVQGKJQWXKLREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-13-6-5-9-16(15(13)17)10-11-18-12-14-7-3-2-4-8-14/h2-4,7-8H,1,5-6,9-12H2.
What are the key properties of 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one?
3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(2-phenylmethoxyethyl)piperidin-2-one is sourced from PubChem (CID 10847959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).