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

C16H23BrN2O — CID 7998756

IUPAC4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-13-5-2-3-11-19(13)12-4-10-18-16(20)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyXWZBPBKCBQOBBT-CYBMUJFWSA-N
MW339.28 g/mol
LogP3.44
Rot. Bonds5

About 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide

4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 7998756) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID7998756
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@@H]1CCCCN1CCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-13-5-2-3-11-19(13)12-4-10-18-16(20)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyXWZBPBKCBQOBBT-CYBMUJFWSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 104851771
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]-2-sulfanylbenzamide
CID 107020528
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473918
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide (CID 7998756) is 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide is C[C@@H]1CCCCN1CCCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is XWZBPBKCBQOBBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-13-5-2-3-11-19(13)12-4-10-18-16(20)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide?
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 7998756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).