4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide

C14H17Br2N3O2 — CID 103907498

IUPAC4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C14H17Br2N3O2/c1-2-17-14(21)19-5-3-18(4-6-19)13(20)10-7-11(15)9-12(16)8-10/h7-9H,2-6H2,1H3,(H,17,21)
InChIKeyAUDKRPYGSVOYJR-UHFFFAOYSA-N
MW419.12 g/mol
LogP2.70
Rot. Bonds2

About 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide

4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 103907498) has the molecular formula C14H17Br2N3O2 and a molecular weight of 419.12 g/mol. Its IUPAC name is 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
PubChem CID103907498
Molecular FormulaC14H17Br2N3O2
Molecular Weight419.12 g/mol
Exact Mass416.97
IUPAC Name4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C14H17Br2N3O2/c1-2-17-14(21)19-5-3-18(4-6-19)13(20)10-7-11(15)9-12(16)8-10/h7-9H,2-6H2,1H3,(H,17,21)
InChIKeyAUDKRPYGSVOYJR-UHFFFAOYSA-N
XLogP2.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.12
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 60716823
4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide
CID 115769535
methyl 4-(3,5-dibromobenzoyl)piperazine-1-carboxylate
CID 103908088
N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide
CID 60698551
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 103908954
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
4-(3-chloro-4-iodobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103734756
(3,5-dibromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 103907500
4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 106853377
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide (CID 103907498) is 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1.
What is the InChIKey of 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is AUDKRPYGSVOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3O2/c1-2-17-14(21)19-5-3-18(4-6-19)13(20)10-7-11(15)9-12(16)8-10/h7-9H,2-6H2,1H3,(H,17,21).
What are the key properties of 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide?
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 419.12 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 103907498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).