1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

C17H20BrN3O2 — CID 134062050

IUPAC1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C17H20BrN3O2/c1-20(2)16(22)11-5-7-21(8-6-11)17(23)15-9-12-3-4-13(18)10-14(12)19-15/h3-4,9-11,19H,5-8H2,1-2H3
InChIKeyJJUOKYPTNRRLPA-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.87
Rot. Bonds2

About 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 134062050) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID134062050
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C17H20BrN3O2/c1-20(2)16(22)11-5-7-21(8-6-11)17(23)15-9-12-3-4-13(18)10-14(12)19-15/h3-4,9-11,19H,5-8H2,1-2H3
InChIKeyJJUOKYPTNRRLPA-UHFFFAOYSA-N
XLogP2.87
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021805
1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 65309546
N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 66571403
(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843506
(3R)-3-[(6-bromo-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590915
(6-hydroxy-1H-indol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 70013039
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
1-(7-bromoquinolin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691601
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 47020581
2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 37264260

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (CID 134062050) is 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1.
What is the InChIKey of 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is JJUOKYPTNRRLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-20(2)16(22)11-5-7-21(8-6-11)17(23)15-9-12-3-4-13(18)10-14(12)19-15/h3-4,9-11,19H,5-8H2,1-2H3.
What are the key properties of 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 134062050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).