3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide

C24H31N3O4 — CID 25057408

IUPAC3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)NCCC3CCCNC3)c2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-30-21-9-8-20(14-22(21)31-2)24(29)27-16-18-5-3-7-19(13-18)23(28)26-12-10-17-6-4-11-25-15-17/h3,5,7-9,13-14,17,25H,4,6,10-12,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXAAZBMINIBYRPX-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.75
Rot. Bonds9

About 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide

3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 25057408) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide
PubChem CID25057408
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)NCCC3CCCNC3)c2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-30-21-9-8-20(14-22(21)31-2)24(29)27-16-18-5-3-7-19(13-18)23(28)26-12-10-17-6-4-11-25-15-17/h3,5,7-9,13-14,17,25H,4,6,10-12,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXAAZBMINIBYRPX-UHFFFAOYSA-N
XLogP2.75
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide (CID 25057408) is 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(C(=O)NCCC3CCCNC3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is XAAZBMINIBYRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-21-9-8-20(14-22(21)31-2)24(29)27-16-18-5-3-7-19(13-18)23(28)26-12-10-17-6-4-11-25-15-17/h3,5,7-9,13-14,17,25H,4,6,10-12,15-16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide?
3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 25057408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).