N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide

C21H23BrN2O — CID 166629401

IUPACN-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H23BrN2O/c22-19-9-4-10-20(16-19)23-21(25)18-11-14-24(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-10,16,18H,11-15H2,(H,23,25)/b8-5+
InChIKeyDSNLDSLANUAAGV-VMPITWQZSA-N
MW399.33 g/mol
LogP4.81
Rot. Bonds5

About N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide

N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide (PubChem CID 166629401) has the molecular formula C21H23BrN2O and a molecular weight of 399.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
PubChem CID166629401
Molecular FormulaC21H23BrN2O
Molecular Weight399.33 g/mol
Exact Mass398.10
IUPAC NameN-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H23BrN2O/c22-19-9-4-10-20(16-19)23-21(25)18-11-14-24(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-10,16,18H,11-15H2,(H,23,25)/b8-5+
InChIKeyDSNLDSLANUAAGV-VMPITWQZSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide (CID 166629401) is N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide is O=C(Nc1cccc(Br)c1)C1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide?
The InChIKey is DSNLDSLANUAAGV-VMPITWQZSA-N. The full InChI is InChI=1S/C21H23BrN2O/c22-19-9-4-10-20(16-19)23-21(25)18-11-14-24(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-10,16,18H,11-15H2,(H,23,25)/b8-5+.
What are the key properties of N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide?
N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide has a molecular weight of 399.33 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 166629401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).