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

C21H23BrN2O3 — CID 27832067

IUPACN-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C21H23BrN2O3/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)
InChIKeyGUFQLNZZERUYKT-UHFFFAOYSA-N
MW431.33 g/mol
LogP3.38
Rot. Bonds6

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

N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 27832067) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
PubChem CID27832067
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC NameN-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C21H23BrN2O3/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)
InChIKeyGUFQLNZZERUYKT-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
CID 2462231
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516
N-benzyl-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 38063205
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753
1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003971
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
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55634987
N-benzyl-1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 26456578

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide (CID 27832067) is N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2)CC1.
What is the InChIKey of N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is GUFQLNZZERUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/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-bromophenoxy)acetyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 431.33 g/mol, XLogP of 3.38, 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-bromophenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 27832067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).