4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide

C15H22BrN3O2 — CID 83190258

IUPAC4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1cc(Br)cc(NC2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C15H22BrN3O2/c1-18(2)15(20)19-6-4-12(5-7-19)17-13-8-11(16)9-14(10-13)21-3/h8-10,12,17H,4-7H2,1-3H3
InChIKeyFPMLLJISKWONGF-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.02
Rot. Bonds3

About 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide

4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83190258) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83190258
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1cc(Br)cc(NC2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C15H22BrN3O2/c1-18(2)15(20)19-6-4-12(5-7-19)17-13-8-11(16)9-14(10-13)21-3/h8-10,12,17H,4-7H2,1-3H3
InChIKeyFPMLLJISKWONGF-UHFFFAOYSA-N
XLogP3.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
CID 82858235
4-(4-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201733
N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936643
4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83242183
4-(3,5-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202832
3-bromo-N-cyclohexyl-5-methoxyaniline
CID 82857692
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663
4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 107597406
4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202747
[4-(4-bromoanilino)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;oxalic acid
CID 163327888
3-bromo-N-(3,4-dimethylcyclohexyl)-5-methoxyaniline
CID 82858459
N,N-dimethyl-4-(3-pyridin-2-yloxyanilino)piperidine-1-carboxamide
CID 86785141

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide (CID 83190258) is 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide is COc1cc(Br)cc(NC2CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is FPMLLJISKWONGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-18(2)15(20)19-6-4-12(5-7-19)17-13-8-11(16)9-14(10-13)21-3/h8-10,12,17H,4-7H2,1-3H3.
What are the key properties of 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide?
4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 356.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83190258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).