N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide

C25H25BrN2O — CID 10049361

IUPACN-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide
SMILESO=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H25BrN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
InChIKeyCHMIKIFFWBMPHB-UHFFFAOYSA-N
MW449.39 g/mol
LogP5.76
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide

N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide (PubChem CID 10049361) has the molecular formula C25H25BrN2O and a molecular weight of 449.39 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide
PubChem CID10049361
Molecular FormulaC25H25BrN2O
Molecular Weight449.39 g/mol
Exact Mass448.12
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide
SMILESO=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H25BrN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2
InChIKeyCHMIKIFFWBMPHB-UHFFFAOYSA-N
XLogP5.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.39
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide (CID 10049361) is N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide is O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide?
The InChIKey is CHMIKIFFWBMPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide?
N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide has a molecular weight of 449.39 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)benzamide is sourced from PubChem (CID 10049361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).