N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C17H23BrN2O2 — CID 17224314

IUPACN-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C17H23BrN2O2/c1-17(2,3)16(22)20-9-7-12(8-10-20)15(21)19-14-6-4-5-13(18)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,19,21)
InChIKeyDOGYGGIXACWDKH-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.67
Rot. Bonds2

About N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 17224314) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID17224314
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC NameN-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C17H23BrN2O2/c1-17(2,3)16(22)20-9-7-12(8-10-20)15(21)19-14-6-4-5-13(18)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,19,21)
InChIKeyDOGYGGIXACWDKH-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 86978864
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55528235
3-[(3-bromophenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126697825
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
1-(2,2-dimethylpropanoyl)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]piperidine-4-carboxamide
CID 51949323
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 17224314) is N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is DOGYGGIXACWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-17(2,3)16(22)20-9-7-12(8-10-20)15(21)19-14-6-4-5-13(18)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17224314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).