N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C20H23BrN2O — CID 43919557

IUPACN-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C20H23BrN2O/c1-15-10-12-23(13-11-15)14-16-2-4-17(5-3-16)20(24)22-19-8-6-18(21)7-9-19/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyLBYVSTYOYOTZNH-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.93
Rot. Bonds4

About N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 43919557) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID43919557
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC NameN-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C20H23BrN2O/c1-15-10-12-23(13-11-15)14-16-2-4-17(5-3-16)20(24)22-19-8-6-18(21)7-9-19/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyLBYVSTYOYOTZNH-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 108737738
N-[4-(1-adamantyl)phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 38106623
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92671720
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946472

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 43919557) is N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is LBYVSTYOYOTZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O/c1-15-10-12-23(13-11-15)14-16-2-4-17(5-3-16)20(24)22-19-8-6-18(21)7-9-19/h2-9,15H,10-14H2,1H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 387.32 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 43919557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).