N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide

C21H26FN3O — CID 119548242

IUPACN-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESNc1ccc(CCNC(=O)C2CCCCN2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O/c22-18-8-4-17(5-9-18)15-25-14-2-1-3-20(25)21(26)24-13-12-16-6-10-19(23)11-7-16/h4-11,20H,1-3,12-15,23H2,(H,24,26)
InChIKeyAPPWIXBOAYXKQL-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide

N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 119548242) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
PubChem CID119548242
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESNc1ccc(CCNC(=O)C2CCCCN2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O/c22-18-8-4-17(5-9-18)15-25-14-2-1-3-20(25)21(26)24-13-12-16-6-10-19(23)11-7-16/h4-11,20H,1-3,12-15,23H2,(H,24,26)
InChIKeyAPPWIXBOAYXKQL-UHFFFAOYSA-N
XLogP3.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120826744
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 124758816
1-[(4-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 111593130
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86919860
(2S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 26644505
N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119614467
1-[(4-fluorophenyl)methyl]-N-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 71857174
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide (CID 119548242) is N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide is Nc1ccc(CCNC(=O)C2CCCCN2Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is APPWIXBOAYXKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-18-8-4-17(5-9-18)15-25-14-2-1-3-20(25)21(26)24-13-12-16-6-10-19(23)11-7-16/h4-11,20H,1-3,12-15,23H2,(H,24,26).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide?
N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119548242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).