1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide

C13H15Br2N3O2 — CID 107973359

IUPAC1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2N3O2/c1-16-12(19)11-7-17-2-3-18(11)13(20)8-4-9(14)6-10(15)5-8/h4-6,11,17H,2-3,7H2,1H3,(H,16,19)
InChIKeyQKNBBFVPYHESSL-UHFFFAOYSA-N
MW405.09 g/mol
LogP1.37
Rot. Bonds2

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

1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide (PubChem CID 107973359) has the molecular formula C13H15Br2N3O2 and a molecular weight of 405.09 g/mol. Its IUPAC name is 1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
PubChem CID107973359
Molecular FormulaC13H15Br2N3O2
Molecular Weight405.09 g/mol
Exact Mass402.95
IUPAC Name1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2N3O2/c1-16-12(19)11-7-17-2-3-18(11)13(20)8-4-9(14)6-10(15)5-8/h4-6,11,17H,2-3,7H2,1H3,(H,16,19)
InChIKeyQKNBBFVPYHESSL-UHFFFAOYSA-N
XLogP1.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.09
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide (CID 107973359) is 1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is QKNBBFVPYHESSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3O2/c1-16-12(19)11-7-17-2-3-18(11)13(20)8-4-9(14)6-10(15)5-8/h4-6,11,17H,2-3,7H2,1H3,(H,16,19).
What are the key properties of 1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide?
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 405.09 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 107973359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).