4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide

C12H16BrN3O3 — CID 106853377

IUPAC4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C12H16BrN3O3/c1-2-14-12(18)16-6-4-15(5-7-16)11(17)9-3-8-19-10(9)13/h3,8H,2,4-7H2,1H3,(H,14,18)
InChIKeyPUFQBBRMFMYBNL-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.53
Rot. Bonds2

About 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide

4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 106853377) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
PubChem CID106853377
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C12H16BrN3O3/c1-2-14-12(18)16-6-4-15(5-7-16)11(17)9-3-8-19-10(9)13/h3,8H,2,4-7H2,1H3,(H,14,18)
InChIKeyPUFQBBRMFMYBNL-UHFFFAOYSA-N
XLogP1.53
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 106853503
1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 106853497
(2-bromofuran-3-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 106853905
(2-bromofuran-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 106853961
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carboxamide
CID 47126280
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 106852804
2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 106855786
(2-bromofuran-3-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404696
4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide
CID 115769535
N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide
CID 60698551

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide (CID 106853377) is 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2ccoc2Br)CC1.
What is the InChIKey of 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is PUFQBBRMFMYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-2-14-12(18)16-6-4-15(5-7-16)11(17)9-3-8-19-10(9)13/h3,8H,2,4-7H2,1H3,(H,14,18).
What are the key properties of 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide?
4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 330.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 106853377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).