4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride

C15H21BrClN3O2 — CID 119472846

IUPAC4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
SMILESCC1CNCCN1C(=O)CCNC(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-11-10-17-8-9-19(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);1H
InChIKeyPLUZJEHWJLOFTN-UHFFFAOYSA-N
MW390.71 g/mol
LogP1.81
Rot. Bonds4

About 4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride

4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride (PubChem CID 119472846) has the molecular formula C15H21BrClN3O2 and a molecular weight of 390.71 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
PubChem CID119472846
Molecular FormulaC15H21BrClN3O2
Molecular Weight390.71 g/mol
Exact Mass389.05
IUPAC Name4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
SMILESCC1CNCCN1C(=O)CCNC(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-11-10-17-8-9-19(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);1H
InChIKeyPLUZJEHWJLOFTN-UHFFFAOYSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(2-methylpiperazin-1-yl)-4-oxobutyl]benzamide;hydrochloride
CID 119471862
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
CID 119579890
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119579891
3-(4-bromophenyl)sulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473732
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
5-(4-bromophenoxy)-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119470273
4-(4-bromophenyl)sulfonyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 124571632
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119376082
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
1-(5-bromo-2-methoxyphenyl)-4-(2-methylpiperazin-1-yl)butane-1,4-dione;hydrochloride
CID 119473304
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride?
The IUPAC name of 4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride (CID 119472846) is 4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride is CC1CNCCN1C(=O)CCNC(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of 4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride?
The InChIKey is PLUZJEHWJLOFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.ClH/c1-11-10-17-8-9-19(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);1H.
What are the key properties of 4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride?
4-bromo-N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride has a molecular weight of 390.71 g/mol, XLogP of 1.81, 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-(2-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride is sourced from PubChem (CID 119472846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).