N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide

C25H23N2O3P — CID 71339693

IUPACN-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC1=O
InChIInChI=1S/C25H23N2O3P/c1-18(28)26-22-17-23(25(30)27-24(22)29)31(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,26,28)(H,27,29,30)
InChIKeyWUOJCTVTHMPBKY-UHFFFAOYSA-N
MW430.44 g/mol
LogP1.70
Rot. Bonds4

About N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide

N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide (PubChem CID 71339693) has the molecular formula C25H23N2O3P and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide
PubChem CID71339693
Molecular FormulaC25H23N2O3P
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC NameN-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC1=O
InChIInChI=1S/C25H23N2O3P/c1-18(28)26-22-17-23(25(30)27-24(22)29)31(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,26,28)(H,27,29,30)
InChIKeyWUOJCTVTHMPBKY-UHFFFAOYSA-N
XLogP1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide?
The IUPAC name of N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide (CID 71339693) is N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide?
The canonical SMILES for N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide is CC(=O)NC1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC1=O.
What is the InChIKey of N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide?
The InChIKey is WUOJCTVTHMPBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O3P/c1-18(28)26-22-17-23(25(30)27-24(22)29)31(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,26,28)(H,27,29,30).
What are the key properties of N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide?
N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide has a molecular weight of 430.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dioxo-5-(triphenyl-λ5-phosphanylidene)piperidin-3-yl]acetamide is sourced from PubChem (CID 71339693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).