3-(triphenyl-λ5-phosphanylidene)piperidin-2-one

C23H22NOP — CID 19906137

IUPAC3-(triphenyl-λ5-phosphanylidene)piperidin-2-one
SMILESO=C1NCCCC1=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NOP/c25-23-22(17-10-18-24-23)26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2,(H,24,25)
InChIKeyHMZLMABVCJBZAL-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.06
Rot. Bonds3

About 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one

3-(triphenyl-λ5-phosphanylidene)piperidin-2-one (PubChem CID 19906137) has the molecular formula C23H22NOP and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one.

Molecular Properties

Compound Name3-(triphenyl-λ5-phosphanylidene)piperidin-2-one
PubChem CID19906137
Molecular FormulaC23H22NOP
Molecular Weight359.41 g/mol
Exact Mass359.14
IUPAC Name3-(triphenyl-λ5-phosphanylidene)piperidin-2-one
SMILESO=C1NCCCC1=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NOP/c25-23-22(17-10-18-24-23)26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2,(H,24,25)
InChIKeyHMZLMABVCJBZAL-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one?
The IUPAC name of 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one (CID 19906137) is 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one.
What is the SMILES notation for 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one?
The canonical SMILES for 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one is O=C1NCCCC1=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one?
The InChIKey is HMZLMABVCJBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NOP/c25-23-22(17-10-18-24-23)26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2,(H,24,25).
What are the key properties of 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one?
3-(triphenyl-λ5-phosphanylidene)piperidin-2-one has a molecular weight of 359.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triphenyl-λ5-phosphanylidene)piperidin-2-one is sourced from PubChem (CID 19906137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).