3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide

C18H28N2O3 — CID 34767039

IUPAC3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)(C)N2CCCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-18(2,20-8-6-5-7-9-20)13-19-17(21)14-10-15(22-3)12-16(11-14)23-4/h10-12H,5-9,13H2,1-4H3,(H,19,21)
InChIKeyOOQZLMZCOLVCFF-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.70
Rot. Bonds6

About 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide

3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide (PubChem CID 34767039) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
PubChem CID34767039
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)(C)N2CCCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-18(2,20-8-6-5-7-9-20)13-19-17(21)14-10-15(22-3)12-16(11-14)23-4/h10-12H,5-9,13H2,1-4H3,(H,19,21)
InChIKeyOOQZLMZCOLVCFF-UHFFFAOYSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide (CID 34767039) is 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide is COc1cc(OC)cc(C(=O)NCC(C)(C)N2CCCCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
The InChIKey is OOQZLMZCOLVCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,20-8-6-5-7-9-20)13-19-17(21)14-10-15(22-3)12-16(11-14)23-4/h10-12H,5-9,13H2,1-4H3,(H,19,21).
What are the key properties of 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 34767039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).