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

C16H22BrN3O2 — CID 7964467

IUPAC4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
SMILESCCN1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrN3O2/c1-2-19-9-11-20(12-10-19)15(21)7-8-18-16(22)13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3,(H,18,22)
InChIKeyYKAFLTBBNYKXRT-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.73
Rot. Bonds5

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

4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide (PubChem CID 7964467) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
PubChem CID7964467
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
SMILESCCN1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrN3O2/c1-2-19-9-11-20(12-10-19)15(21)7-8-18-16(22)13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3,(H,18,22)
InChIKeyYKAFLTBBNYKXRT-UHFFFAOYSA-N
XLogP1.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 46653083
4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 31094369
4-bromo-N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 55429216
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119376082
4-bromo-N-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 46413426
4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 39948550
2-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-fluorobenzamide
CID 51118033
N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-4-bromobenzamide
CID 4807042
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119579891
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 38046364

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide (CID 7964467) is 4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide is CCN1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide?
The InChIKey is YKAFLTBBNYKXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-2-19-9-11-20(12-10-19)15(21)7-8-18-16(22)13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3,(H,18,22).
What are the key properties of 4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide?
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide has a molecular weight of 368.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 7964467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).