N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

C23H28FN3O2 — CID 113008104

IUPACN-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-3-26(4-2)21-10-8-20(9-11-21)25-22(28)17-12-14-27(15-13-17)23(29)18-6-5-7-19(24)16-18/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,28)
InChIKeyUOBIXBLLVYYVNK-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.16
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 113008104) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID113008104
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-3-26(4-2)21-10-8-20(9-11-21)25-22(28)17-12-14-27(15-13-17)23(29)18-6-5-7-19(24)16-18/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,28)
InChIKeyUOBIXBLLVYYVNK-UHFFFAOYSA-N
XLogP4.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 17223615
N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223755
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223813
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (CID 113008104) is N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is UOBIXBLLVYYVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-3-26(4-2)21-10-8-20(9-11-21)25-22(28)17-12-14-27(15-13-17)23(29)18-6-5-7-19(24)16-18/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).