N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide

C21H23FN2O3 — CID 26456587

IUPACN-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O3/c22-18-6-8-19(9-7-18)27-15-20(25)24-12-10-17(11-13-24)21(26)23-14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26)
InChIKeyCKMHXSRMPZEEOM-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.76
Rot. Bonds6

About N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide

N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 26456587) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
PubChem CID26456587
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O3/c22-18-6-8-19(9-7-18)27-15-20(25)24-12-10-17(11-13-24)21(26)23-14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26)
InChIKeyCKMHXSRMPZEEOM-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
N-benzyl-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 38063205
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839
1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003971
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55838933
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55660795

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide (CID 26456587) is N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is CKMHXSRMPZEEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-18-6-8-19(9-7-18)27-15-20(25)24-12-10-17(11-13-24)21(26)23-14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26).
What are the key properties of N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 26456587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).