3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide

C24H31N3O5 — CID 38842437

IUPAC3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(CN3CCCCC3)c2)cc(OC)c1OC
InChIInChI=1S/C24H31N3O5/c1-30-20-13-18(14-21(31-2)23(20)32-3)24(29)25-15-22(28)26-19-9-7-8-17(12-19)16-27-10-5-4-6-11-27/h7-9,12-14H,4-6,10-11,15-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyNRLGWIVJXYCJQU-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.07
Rot. Bonds9

About 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide

3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide (PubChem CID 38842437) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
PubChem CID38842437
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(CN3CCCCC3)c2)cc(OC)c1OC
InChIInChI=1S/C24H31N3O5/c1-30-20-13-18(14-21(31-2)23(20)32-3)24(29)25-15-22(28)26-19-9-7-8-17(12-19)16-27-10-5-4-6-11-27/h7-9,12-14H,4-6,10-11,15-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyNRLGWIVJXYCJQU-UHFFFAOYSA-N
XLogP3.07
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842372
3,4,5-trimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 55429146
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 30831168
2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
CID 46417268
3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 26776799
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide (CID 38842437) is 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide is COc1cc(C(=O)NCC(=O)Nc2cccc(CN3CCCCC3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
The InChIKey is NRLGWIVJXYCJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-30-20-13-18(14-21(31-2)23(20)32-3)24(29)25-15-22(28)26-19-9-7-8-17(12-19)16-27-10-5-4-6-11-27/h7-9,12-14H,4-6,10-11,15-16H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 38842437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).