3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide

C16H23N2O5P — CID 87236403

IUPAC3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
SMILESCOP(=O)(CCC(=O)Nc1ccc(N2CCCCC2=O)cc1)OC
InChIInChI=1S/C16H23N2O5P/c1-22-24(21,23-2)12-10-15(19)17-13-6-8-14(9-7-13)18-11-4-3-5-16(18)20/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyCPBXGRXGORJAQG-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.02
Rot. Bonds7

About 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide

3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide (PubChem CID 87236403) has the molecular formula C16H23N2O5P and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
PubChem CID87236403
Molecular FormulaC16H23N2O5P
Molecular Weight354.34 g/mol
Exact Mass354.13
IUPAC Name3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
SMILESCOP(=O)(CCC(=O)Nc1ccc(N2CCCCC2=O)cc1)OC
InChIInChI=1S/C16H23N2O5P/c1-22-24(21,23-2)12-10-15(19)17-13-6-8-14(9-7-13)18-11-4-3-5-16(18)20/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyCPBXGRXGORJAQG-UHFFFAOYSA-N
XLogP3.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
2-ethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687285
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate
CID 8694503

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide (CID 87236403) is 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide is COP(=O)(CCC(=O)Nc1ccc(N2CCCCC2=O)cc1)OC.
What is the InChIKey of 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide?
The InChIKey is CPBXGRXGORJAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2O5P/c1-22-24(21,23-2)12-10-15(19)17-13-6-8-14(9-7-13)18-11-4-3-5-16(18)20/h6-9H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide?
3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide has a molecular weight of 354.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphoryl-N-[4-(2-oxopiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 87236403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).