1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide

C24H31N2O5P — CID 3520152

IUPAC1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide
SMILESCCOP(=O)(Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1)OCC
InChIInChI=1S/C24H31N2O5P/c1-3-30-32(29,31-4-2)18-19-10-12-22(13-11-19)25-23(27)20-14-16-26(17-15-20)24(28)21-8-6-5-7-9-21/h5-13,20H,3-4,14-18H2,1-2H3,(H,25,27)
InChIKeyQWFHBJJHKRTJFB-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.94
Rot. Bonds9

About 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide

1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 3520152) has the molecular formula C24H31N2O5P and a molecular weight of 458.50 g/mol. Its IUPAC name is 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID3520152
Molecular FormulaC24H31N2O5P
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC Name1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide
SMILESCCOP(=O)(Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1)OCC
InChIInChI=1S/C24H31N2O5P/c1-3-30-32(29,31-4-2)18-19-10-12-22(13-11-19)25-23(27)20-14-16-26(17-15-20)24(28)21-8-6-5-7-9-21/h5-13,20H,3-4,14-18H2,1-2H3,(H,25,27)
InChIKeyQWFHBJJHKRTJFB-UHFFFAOYSA-N
XLogP4.94
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.94
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

4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide (CID 3520152) is 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide is CCOP(=O)(Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1)OCC.
What is the InChIKey of 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is QWFHBJJHKRTJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N2O5P/c1-3-30-32(29,31-4-2)18-19-10-12-22(13-11-19)25-23(27)20-14-16-26(17-15-20)24(28)21-8-6-5-7-9-21/h5-13,20H,3-4,14-18H2,1-2H3,(H,25,27).
What are the key properties of 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide?
1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 3520152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).