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

C16H23BrN2O — CID 47036181

IUPAC2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(C(C)CNC(=O)c2ccccc2Br)C1
InChIInChI=1S/C16H23BrN2O/c1-12-6-5-9-19(11-12)13(2)10-18-16(20)14-7-3-4-8-15(14)17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyUALBMRJOKAWUCS-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.30
Rot. Bonds4

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

2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 47036181) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID47036181
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(C(C)CNC(=O)c2ccccc2Br)C1
InChIInChI=1S/C16H23BrN2O/c1-12-6-5-9-19(11-12)13(2)10-18-16(20)14-7-3-4-8-15(14)17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyUALBMRJOKAWUCS-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 46413957
2-chloro-4-fluoro-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 98720791
2-chloro-4-fluoro-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036175
4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717834
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 79035923
2-bromo-N-[(2R)-4-methylsulfanyl-1-oxo-1-[[(2R)-2-piperidin-1-ylpropyl]amino]butan-2-yl]benzamide
CID 51967028
3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide
CID 119850745
1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
CID 111450668
3-(methoxymethyl)-N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 100850955
N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
CID 98720786

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide (CID 47036181) is 2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide is CC1CCCN(C(C)CNC(=O)c2ccccc2Br)C1.
What is the InChIKey of 2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is UALBMRJOKAWUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12-6-5-9-19(11-12)13(2)10-18-16(20)14-7-3-4-8-15(14)17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,20).
What are the key properties of 2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 47036181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).