4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide

C14H19Br2N3O — CID 107597406

IUPAC4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2c(Br)cccc2Br)CC1
InChIInChI=1S/C14H19Br2N3O/c1-18(2)14(20)19-8-6-10(7-9-19)17-13-11(15)4-3-5-12(13)16/h3-5,10,17H,6-9H2,1-2H3
InChIKeyCHRJWGDZHNZXGG-UHFFFAOYSA-N
MW405.13 g/mol
LogP3.77
Rot. Bonds2

About 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide

4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 107597406) has the molecular formula C14H19Br2N3O and a molecular weight of 405.13 g/mol. Its IUPAC name is 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID107597406
Molecular FormulaC14H19Br2N3O
Molecular Weight405.13 g/mol
Exact Mass402.99
IUPAC Name4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2c(Br)cccc2Br)CC1
InChIInChI=1S/C14H19Br2N3O/c1-18(2)14(20)19-8-6-10(7-9-19)17-13-11(15)4-3-5-12(13)16/h3-5,10,17H,6-9H2,1-2H3
InChIKeyCHRJWGDZHNZXGG-UHFFFAOYSA-N
XLogP3.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.13
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236371
4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202747
4-(4-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201733
N,N-dimethyl-4-[(2-methyl-3-pyridinyl)amino]piperidine-1-carboxamide
CID 83261618
N,N-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxamide
CID 83206240
4-(3,5-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202832
4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83242183
N,N-dimethyl-4-(1-phenylethylamino)piperidine-1-carboxamide
CID 83205698
4-(2,5-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236467
4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83190258
4-(2,4-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262257
4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236466

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide (CID 107597406) is 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(Nc2c(Br)cccc2Br)CC1.
What is the InChIKey of 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is CHRJWGDZHNZXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N3O/c1-18(2)14(20)19-8-6-10(7-9-19)17-13-11(15)4-3-5-12(13)16/h3-5,10,17H,6-9H2,1-2H3.
What are the key properties of 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide?
4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 405.13 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 107597406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).