3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide

C15H21BrN2O — CID 47035917

IUPAC3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCCN(CCNC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-12-4-3-8-18(11-12)9-7-17-15(19)13-5-2-6-14(16)10-13/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,17,19)
InChIKeyZQSNOACYPQTVAB-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.91
Rot. Bonds4

About 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide

3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 47035917) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID47035917
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCCN(CCNC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-12-4-3-8-18(11-12)9-7-17-15(19)13-5-2-6-14(16)10-13/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,17,19)
InChIKeyZQSNOACYPQTVAB-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 146142260
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-3-bromobenzamide
CID 111095102
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 55723615
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
N-[3-[3-[(3R)-3-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 92871070
5-cyclopropyl-N-[3-[3-[(3S)-3-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871107

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide (CID 47035917) is 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide is CC1CCCN(CCNC(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is ZQSNOACYPQTVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12-4-3-8-18(11-12)9-7-17-15(19)13-5-2-6-14(16)10-13/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,17,19).
What are the key properties of 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 325.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 47035917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).