3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide

C17H25BrN2O3 — CID 119461766

IUPAC3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCC2CCCNC2)cc1OC
InChIInChI=1S/C17H25BrN2O3/c1-3-7-23-16-14(18)8-13(9-15(16)22-2)17(21)20-11-12-5-4-6-19-10-12/h8-9,12,19H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyGFKZTBONOXSZTJ-UHFFFAOYSA-N
MW385.30 g/mol
LogP2.98
Rot. Bonds7

About 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide

3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide (PubChem CID 119461766) has the molecular formula C17H25BrN2O3 and a molecular weight of 385.30 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide
PubChem CID119461766
Molecular FormulaC17H25BrN2O3
Molecular Weight385.30 g/mol
Exact Mass384.10
IUPAC Name3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCC2CCCNC2)cc1OC
InChIInChI=1S/C17H25BrN2O3/c1-3-7-23-16-14(18)8-13(9-15(16)22-2)17(21)20-11-12-5-4-6-19-10-12/h8-9,12,19H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyGFKZTBONOXSZTJ-UHFFFAOYSA-N
XLogP2.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461806
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463531
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
CID 42989597

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide (CID 119461766) is 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)NCC2CCCNC2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide?
The InChIKey is GFKZTBONOXSZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3/c1-3-7-23-16-14(18)8-13(9-15(16)22-2)17(21)20-11-12-5-4-6-19-10-12/h8-9,12,19H,3-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide?
3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide has a molecular weight of 385.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide is sourced from PubChem (CID 119461766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).