4-(5-bromo-2-methylanilino)piperidine-1-carboxamide

C13H18BrN3O — CID 43787891

IUPAC4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
SMILESCc1ccc(Br)cc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H18BrN3O/c1-9-2-3-10(14)8-12(9)16-11-4-6-17(7-5-11)13(15)18/h2-3,8,11,16H,4-7H2,1H3,(H2,15,18)
InChIKeyBBKLXCBOIUHZDF-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.71
Rot. Bonds2

About 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide

4-(5-bromo-2-methylanilino)piperidine-1-carboxamide (PubChem CID 43787891) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
PubChem CID43787891
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
SMILESCc1ccc(Br)cc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H18BrN3O/c1-9-2-3-10(14)8-12(9)16-11-4-6-17(7-5-11)13(15)18/h2-3,8,11,16H,4-7H2,1H3,(H2,15,18)
InChIKeyBBKLXCBOIUHZDF-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide
CID 62913744
4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
CID 81292473
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
N-(5-bromo-2-methylphenyl)thian-4-amine
CID 43729710
ethyl 4-(5-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 114901382
1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
CID 80560844
4-(2,5-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236467
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070
4-(2-methylsulfanylanilino)piperidine-1-carboxamide
CID 43781018
4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
CID 82858235

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide (CID 43787891) is 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide is Cc1ccc(Br)cc1NC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide?
The InChIKey is BBKLXCBOIUHZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9-2-3-10(14)8-12(9)16-11-4-6-17(7-5-11)13(15)18/h2-3,8,11,16H,4-7H2,1H3,(H2,15,18).
What are the key properties of 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide?
4-(5-bromo-2-methylanilino)piperidine-1-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43787891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).