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

C12H15BrClN3O — CID 62913744

IUPAC4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H15BrClN3O/c13-8-1-2-10(14)11(7-8)16-9-3-5-17(6-4-9)12(15)18/h1-2,7,9,16H,3-6H2,(H2,15,18)
InChIKeyAKRGVGPYRXSDRY-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.06
Rot. Bonds2

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

4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide (PubChem CID 62913744) has the molecular formula C12H15BrClN3O and a molecular weight of 332.63 g/mol. Its IUPAC name is 4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide
PubChem CID62913744
Molecular FormulaC12H15BrClN3O
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H15BrClN3O/c13-8-1-2-10(14)11(7-8)16-9-3-5-17(6-4-9)12(15)18/h1-2,7,9,16H,3-6H2,(H2,15,18)
InChIKeyAKRGVGPYRXSDRY-UHFFFAOYSA-N
XLogP3.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891
4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
CID 81292473
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
CID 79741139
N-(5-bromo-2-chlorophenyl)cycloheptanamine
CID 63477399
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
N-(5-bromo-2-chlorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 63477729
4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide
CID 43789870
3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
CID 79461483
N-(5-bromo-2-chlorophenyl)thietan-3-amine
CID 130870688
N-(5-bromo-2-chlorophenyl)oxepan-4-amine
CID 65079704
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide (CID 62913744) is 4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide is NC(=O)N1CCC(Nc2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide?
The InChIKey is AKRGVGPYRXSDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O/c13-8-1-2-10(14)11(7-8)16-9-3-5-17(6-4-9)12(15)18/h1-2,7,9,16H,3-6H2,(H2,15,18).
What are the key properties of 4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide?
4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide has a molecular weight of 332.63 g/mol, XLogP of 3.06, 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-chloroanilino)piperidine-1-carboxamide is sourced from PubChem (CID 62913744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).