3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide

C25H32N2O6 — CID 42525029

IUPAC3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C25H32N2O6/c1-5-31-21-14-17(15-22(32-6-2)24(21)33-7-3)25(29)26-18-11-12-19(20(16-18)30-4)27-13-9-8-10-23(27)28/h11-12,14-16H,5-10,13H2,1-4H3,(H,26,29)
InChIKeyWKUMVANCZLFGOE-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.66
Rot. Bonds10

About 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide

3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 42525029) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID42525029
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Name3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C25H32N2O6/c1-5-31-21-14-17(15-22(32-6-2)24(21)33-7-3)25(29)26-18-11-12-19(20(16-18)30-4)27-13-9-8-10-23(27)28/h11-12,14-16H,5-10,13H2,1-4H3,(H,26,29)
InChIKeyWKUMVANCZLFGOE-UHFFFAOYSA-N
XLogP4.66
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687480
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55645760
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
2-ethoxy-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687841
3,4,5-trimethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687225
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55997100

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 42525029) is 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is WKUMVANCZLFGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/c1-5-31-21-14-17(15-22(32-6-2)24(21)33-7-3)25(29)26-18-11-12-19(20(16-18)30-4)27-13-9-8-10-23(27)28/h11-12,14-16H,5-10,13H2,1-4H3,(H,26,29).
What are the key properties of 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 456.54 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 42525029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).