3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

C24H31N3O4 — CID 41438486

IUPAC3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCCCC2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-30-21-11-10-18(14-22(21)31-2)24(29)26-16-23(28)25-15-19-8-4-5-9-20(19)17-27-12-6-3-7-13-27/h4-5,8-11,14H,3,6-7,12-13,15-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUUCDEDTUZQZXHK-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.74
Rot. Bonds9

About 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 41438486) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID41438486
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCCCC2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-30-21-11-10-18(14-22(21)31-2)24(29)26-16-23(28)25-15-19-8-4-5-9-20(19)17-27-12-6-3-7-13-27/h4-5,8-11,14H,3,6-7,12-13,15-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUUCDEDTUZQZXHK-UHFFFAOYSA-N
XLogP2.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]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

3,4,5-trimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 55429146
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
CID 24551039
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143639
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide
CID 56581973
N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24551426
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119869683
6-methoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24532714
2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 24551423
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (CID 41438486) is 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is COc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCCCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is UUCDEDTUZQZXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-21-11-10-18(14-22(21)31-2)24(29)26-16-23(28)25-15-19-8-4-5-9-20(19)17-27-12-6-3-7-13-27/h4-5,8-11,14H,3,6-7,12-13,15-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 41438486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).