4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide

C15H20BrN3O2 — CID 119579891

IUPAC4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide
SMILESCC1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCN1
InChIInChI=1S/C15H20BrN3O2/c1-11-10-19(9-8-17-11)14(20)6-7-18-15(21)12-2-4-13(16)5-3-12/h2-5,11,17H,6-10H2,1H3,(H,18,21)
InChIKeySJMDOKWPYYHJDE-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.39
Rot. Bonds4

About 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide

4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide (PubChem CID 119579891) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide
PubChem CID119579891
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide
SMILESCC1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCN1
InChIInChI=1S/C15H20BrN3O2/c1-11-10-19(9-8-17-11)14(20)6-7-18-15(21)12-2-4-13(16)5-3-12/h2-5,11,17H,6-10H2,1H3,(H,18,21)
InChIKeySJMDOKWPYYHJDE-UHFFFAOYSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
CID 119579890
4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
CID 119472846
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide
CID 119380849
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119376082
4-bromo-N-[3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 46653083
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
2-[(4-bromophenyl)methylsulfonyl]-1-(3-methylpiperazin-1-yl)ethanone
CID 119580006
3-(3-bromophenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 124670153
N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119580068
4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 31094369
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 120808692

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide (CID 119579891) is 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide is CC1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCN1.
What is the InChIKey of 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
The InChIKey is SJMDOKWPYYHJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-11-10-19(9-8-17-11)14(20)6-7-18-15(21)12-2-4-13(16)5-3-12/h2-5,11,17H,6-10H2,1H3,(H,18,21).
What are the key properties of 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide?
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide has a molecular weight of 354.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 119579891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).