4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide

C18H27BrN2O3 — CID 55717834

IUPAC4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCC(C)N2CCCC(C)C2)cc(OC)c1Br
InChIInChI=1S/C18H27BrN2O3/c1-12-6-5-7-21(11-12)13(2)10-20-18(22)14-8-15(23-3)17(19)16(9-14)24-4/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,20,22)
InChIKeyUYLHWIARQZHBAT-UHFFFAOYSA-N
MW399.33 g/mol
LogP3.32
Rot. Bonds6

About 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide

4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 55717834) has the molecular formula C18H27BrN2O3 and a molecular weight of 399.33 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID55717834
Molecular FormulaC18H27BrN2O3
Molecular Weight399.33 g/mol
Exact Mass398.12
IUPAC Name4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCC(C)N2CCCC(C)C2)cc(OC)c1Br
InChIInChI=1S/C18H27BrN2O3/c1-12-6-5-7-21(11-12)13(2)10-20-18(22)14-8-15(23-3)17(19)16(9-14)24-4/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,20,22)
InChIKeyUYLHWIARQZHBAT-UHFFFAOYSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 100850955
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
3,4,5-trimethoxy-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-2-nitrobenzamide
CID 94867137
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
CID 98720786
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-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide
CID 115700732
3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide (CID 55717834) is 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide is COc1cc(C(=O)NCC(C)N2CCCC(C)C2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is UYLHWIARQZHBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O3/c1-12-6-5-7-21(11-12)13(2)10-20-18(22)14-8-15(23-3)17(19)16(9-14)24-4/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,20,22).
What are the key properties of 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 399.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 55717834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).