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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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).