N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide

C21H23BrN2O2 — CID 2926531

IUPACN-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H23BrN2O2/c1-15(24-12-6-3-7-13-24)21(26)23-19-11-10-17(22)14-18(19)20(25)16-8-4-2-5-9-16/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,23,26)
InChIKeyPSMTZTOHDNYWRM-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.49
Rot. Bonds5

About N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide

N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide (PubChem CID 2926531) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide
PubChem CID2926531
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC NameN-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H23BrN2O2/c1-15(24-12-6-3-7-13-24)21(26)23-19-11-10-17(22)14-18(19)20(25)16-8-4-2-5-9-16/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,23,26)
InChIKeyPSMTZTOHDNYWRM-UHFFFAOYSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide (CID 2926531) is N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide is CC(C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide?
The InChIKey is PSMTZTOHDNYWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-15(24-12-6-3-7-13-24)21(26)23-19-11-10-17(22)14-18(19)20(25)16-8-4-2-5-9-16/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,23,26).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide?
N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide has a molecular weight of 415.33 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 2926531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).