propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate

C23H25FN2O4 — CID 17223615

IUPACpropyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H25FN2O4/c1-2-14-30-23(29)17-6-8-20(9-7-17)25-21(27)16-10-12-26(13-11-16)22(28)18-4-3-5-19(24)15-18/h3-9,15-16H,2,10-14H2,1H3,(H,25,27)
InChIKeyQPZGFFVKPFSVGS-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.88
Rot. Bonds6

About propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate

propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 17223615) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID17223615
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Namepropyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H25FN2O4/c1-2-14-30-23(29)17-6-8-20(9-7-17)25-21(27)16-10-12-26(13-11-16)22(28)18-4-3-5-19(24)15-18/h3-9,15-16H,2,10-14H2,1H3,(H,25,27)
InChIKeyQPZGFFVKPFSVGS-UHFFFAOYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223755
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768112
propyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoate
CID 26199089
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223813

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate (CID 17223615) is propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is QPZGFFVKPFSVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4/c1-2-14-30-23(29)17-6-8-20(9-7-17)25-21(27)16-10-12-26(13-11-16)22(28)18-4-3-5-19(24)15-18/h3-9,15-16H,2,10-14H2,1H3,(H,25,27).
What are the key properties of propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate?
propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 412.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 17223615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).