4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide

C20H21BrN2O2 — CID 23072025

IUPAC4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide
SMILESC=Cc1cccc(NC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H21BrN2O2/c1-2-15-4-3-5-18(14-15)22-19(24)23-12-10-20(25,11-13-23)16-6-8-17(21)9-7-16/h2-9,14,25H,1,10-13H2,(H,22,24)
InChIKeyHFCJZKJEFDPQPL-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.61
Rot. Bonds3

About 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide

4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 23072025) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID23072025
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide
SMILESC=Cc1cccc(NC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H21BrN2O2/c1-2-15-4-3-5-18(14-15)22-19(24)23-12-10-20(25,11-13-23)16-6-8-17(21)9-7-16/h2-9,14,25H,1,10-13H2,(H,22,24)
InChIKeyHFCJZKJEFDPQPL-UHFFFAOYSA-N
XLogP4.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072100
4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23072127
4-(4-bromophenyl)-N-[2-(4-bromophenyl)-3-ethenylbenzoyl]-4-hydroxypiperidine-1-carboxamide
CID 175040126
N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide
CID 23072023
N-(3-cyclohexyloxyphenyl)-4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxamide
CID 23072106
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 90309190
N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072136
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
CID 55156325
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide (CID 23072025) is 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide is C=Cc1cccc(NC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is HFCJZKJEFDPQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-2-15-4-3-5-18(14-15)22-19(24)23-12-10-20(25,11-13-23)16-6-8-17(21)9-7-16/h2-9,14,25H,1,10-13H2,(H,22,24).
What are the key properties of 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide?
4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 401.30 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23072025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).