3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

C17H25BrN2O — CID 104851771

IUPAC3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1cc(Br)cc(C(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C17H25BrN2O/c1-13-10-15(12-16(18)11-13)17(21)19-7-5-9-20-8-4-3-6-14(20)2/h10-12,14H,3-9H2,1-2H3,(H,19,21)
InChIKeyFQTLBYYMCCTSHX-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.75
Rot. Bonds5

About 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 104851771) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
PubChem CID104851771
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1cc(Br)cc(C(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C17H25BrN2O/c1-13-10-15(12-16(18)11-13)17(21)19-7-5-9-20-8-4-3-6-14(20)2/h10-12,14H,3-9H2,1-2H3,(H,19,21)
InChIKeyFQTLBYYMCCTSHX-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
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
ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473918
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (CID 104851771) is 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is Cc1cc(Br)cc(C(=O)NCCCN2CCCCC2C)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is FQTLBYYMCCTSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-13-10-15(12-16(18)11-13)17(21)19-7-5-9-20-8-4-3-6-14(20)2/h10-12,14H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 353.30 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 104851771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).