1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide

C21H23BrN2O2 — CID 27670954

IUPAC1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H23BrN2O2/c22-19-8-6-18(7-9-19)21(26)24-14-11-17(12-15-24)20(25)23-13-10-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,25)
InChIKeyDBSNTGBGANJUJW-UHFFFAOYSA-N
MW415.33 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 27670954) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID27670954
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H23BrN2O2/c22-19-8-6-18(7-9-19)21(26)24-14-11-17(12-15-24)20(25)23-13-10-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,25)
InChIKeyDBSNTGBGANJUJW-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 29352994
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974814
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide
CID 110615621
1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 24504712
(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633580
N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 36982143
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 27670954) is 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is DBSNTGBGANJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c22-19-8-6-18(7-9-19)21(26)24-14-11-17(12-15-24)20(25)23-13-10-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,25).
What are the key properties of 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 415.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 27670954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).