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

C24H31N3O4 — CID 25055317

IUPAC3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(NC(=O)CCC3CCCNC3)c2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeySJBMXOXUSWRUJG-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.35
Rot. Bonds9

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

3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide (PubChem CID 25055317) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide
PubChem CID25055317
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(NC(=O)CCC3CCCNC3)c2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeySJBMXOXUSWRUJG-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 48041
CID 48041
CID 5663
CID 5663
CID 48040
CID 48040
CID 65885
CID 65885
CID 1245700
CID 1245700
CID 54737
CID 54737
CID 3154679
CID 3154679
CID 28757
CID 28757
CID 305103
CID 305103
CID 321423
CID 321423
CID 8001903
CID 8001903
CID 156145621
CID 156145621

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide (CID 25055317) is 3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(NC(=O)CCC3CCCNC3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide?
The InChIKey is SJBMXOXUSWRUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide?
3,4-dimethoxy-N-[[3-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.35, 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-(3-piperidin-3-ylpropanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 25055317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).