1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide

C14H18BrN3O2 — CID 115999662

IUPAC1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-9-5-10(7-11(15)6-9)14(20)18-4-3-17-8-12(18)13(19)16-2/h5-7,12,17H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyJFWPEKSTHYQKPO-UHFFFAOYSA-N
MW340.22 g/mol
LogP0.92
Rot. Bonds2

About 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide

1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide (PubChem CID 115999662) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
PubChem CID115999662
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-9-5-10(7-11(15)6-9)14(20)18-4-3-17-8-12(18)13(19)16-2/h5-7,12,17H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyJFWPEKSTHYQKPO-UHFFFAOYSA-N
XLogP0.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 104852956
1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107990506
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide
CID 107963609
1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 82830583
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81315811
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
1-(4-chloro-2,5-difluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 82772342
[2-(aminomethyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 113415445
4-(3-bromo-5-methylbenzoyl)morpholine-3-carboxylic acid
CID 113460502

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide (CID 115999662) is 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is JFWPEKSTHYQKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9-5-10(7-11(15)6-9)14(20)18-4-3-17-8-12(18)13(19)16-2/h5-7,12,17H,3-4,8H2,1-2H3,(H,16,19).
What are the key properties of 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 115999662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).