4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide

C13H18BrN3O2 — CID 82858235

IUPAC4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
SMILESCOc1cc(Br)cc(NC2CCN(C(N)=O)CC2)c1
InChIInChI=1S/C13H18BrN3O2/c1-19-12-7-9(14)6-11(8-12)16-10-2-4-17(5-3-10)13(15)18/h6-8,10,16H,2-5H2,1H3,(H2,15,18)
InChIKeyBQPZQFLZMWGOPY-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.41
Rot. Bonds3

About 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide

4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide (PubChem CID 82858235) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
PubChem CID82858235
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
SMILESCOc1cc(Br)cc(NC2CCN(C(N)=O)CC2)c1
InChIInChI=1S/C13H18BrN3O2/c1-19-12-7-9(14)6-11(8-12)16-10-2-4-17(5-3-10)13(15)18/h6-8,10,16H,2-5H2,1H3,(H2,15,18)
InChIKeyBQPZQFLZMWGOPY-UHFFFAOYSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83190258
3-bromo-N-cyclohexyl-5-methoxyaniline
CID 82857692
N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936643
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663
4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136
(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
CID 119898033
[4-(4-bromoanilino)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;oxalic acid
CID 163327888
1-N-(3-bromo-5-methoxyphenyl)cyclohexane-1,3-diamine
CID 82858096
methyl N-[3-[(1-carbamoylpiperidin-4-yl)amino]phenyl]carbamate
CID 60942471
(5-amino-2-methylphenyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone;dihydrochloride
CID 120647636

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide (CID 82858235) is 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide is COc1cc(Br)cc(NC2CCN(C(N)=O)CC2)c1.
What is the InChIKey of 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide?
The InChIKey is BQPZQFLZMWGOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-19-12-7-9(14)6-11(8-12)16-10-2-4-17(5-3-10)13(15)18/h6-8,10,16H,2-5H2,1H3,(H2,15,18).
What are the key properties of 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide?
4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide is sourced from PubChem (CID 82858235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).