1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide

C11H13Br2N3O2S — CID 107963609

IUPAC1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H13Br2N3O2S/c1-14-10(17)7-5-15-2-3-16(7)11(18)6-4-8(12)19-9(6)13/h4,7,15H,2-3,5H2,1H3,(H,14,17)
InChIKeyRJIYFBPTLAORDR-UHFFFAOYSA-N
MW411.12 g/mol
LogP1.43
Rot. Bonds2

About 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide

1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide (PubChem CID 107963609) has the molecular formula C11H13Br2N3O2S and a molecular weight of 411.12 g/mol. Its IUPAC name is 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide
PubChem CID107963609
Molecular FormulaC11H13Br2N3O2S
Molecular Weight411.12 g/mol
Exact Mass408.91
IUPAC Name1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H13Br2N3O2S/c1-14-10(17)7-5-15-2-3-16(7)11(18)6-4-8(12)19-9(6)13/h4,7,15H,2-3,5H2,1H3,(H,14,17)
InChIKeyRJIYFBPTLAORDR-UHFFFAOYSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.12
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dibromothiophen-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 103866744
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 115999662
1-(4-chloro-2,5-difluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 82772342
1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 82830583
1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107990506
1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 81461747
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
N-methyl-1-(4-methylpiperidine-1-carbonyl)piperazine-2-carboxamide
CID 79162942
(2S)-1-(2,5-dibromothiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 107949313
1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide
CID 79997413

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide (CID 107963609) is 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is RJIYFBPTLAORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O2S/c1-14-10(17)7-5-15-2-3-16(7)11(18)6-4-8(12)19-9(6)13/h4,7,15H,2-3,5H2,1H3,(H,14,17).
What are the key properties of 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide?
1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 411.12 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 107963609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).