1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide

C15H17BrN2O2 — CID 2402930

IUPAC1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1
InChIInChI=1S/C15H17BrN2O2/c16-13-3-1-2-11(10-13)4-5-14(19)18-8-6-12(7-9-18)15(17)20/h1-5,10,12H,6-9H2,(H2,17,20)/b5-4+
InChIKeyZNWIOTXGUSKXEA-SNAWJCMRSA-N
MW337.22 g/mol
LogP2.19
Rot. Bonds3

About 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide

1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide (PubChem CID 2402930) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide
PubChem CID2402930
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1
InChIInChI=1S/C15H17BrN2O2/c16-13-3-1-2-11(10-13)4-5-14(19)18-8-6-12(7-9-18)15(17)20/h1-5,10,12H,6-9H2,(H2,17,20)/b5-4+
InChIKeyZNWIOTXGUSKXEA-SNAWJCMRSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide (CID 2402930) is 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is ZNWIOTXGUSKXEA-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-13-3-1-2-11(10-13)4-5-14(19)18-8-6-12(7-9-18)15(17)20/h1-5,10,12H,6-9H2,(H2,17,20)/b5-4+.
What are the key properties of 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide?
1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2402930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).