N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide

C26H29N3O3 — CID 46262149

IUPACN-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C26H29N3O3/c1-3-28-18-19(20-11-5-7-13-23(20)28)17-22(26(31)29-15-9-4-10-16-29)27-25(30)21-12-6-8-14-24(21)32-2/h5-8,11-14,17-18H,3-4,9-10,15-16H2,1-2H3,(H,27,30)/b22-17-
InChIKeyXFOWUERCJLPWBI-XLNRJJMWSA-N
MW431.54 g/mol
LogP4.45
Rot. Bonds6

About N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide

N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide (PubChem CID 46262149) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
PubChem CID46262149
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C26H29N3O3/c1-3-28-18-19(20-11-5-7-13-23(20)28)17-22(26(31)29-15-9-4-10-16-29)27-25(30)21-12-6-8-14-24(21)32-2/h5-8,11-14,17-18H,3-4,9-10,15-16H2,1-2H3,(H,27,30)/b22-17-
InChIKeyXFOWUERCJLPWBI-XLNRJJMWSA-N
XLogP4.45
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46262150
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262181
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 46262083
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 24791588
N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46262137
3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 46262199
2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 46262104
N-[3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 3986882
N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 2005573
2-chloro-N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 24791584
N-[1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridine-4-carboxamide
CID 91023383
N-[(Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 46262034

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide (CID 46262149) is N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide is CCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)N2CCCCC2)c2ccccc21.
What is the InChIKey of N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide?
The InChIKey is XFOWUERCJLPWBI-XLNRJJMWSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-28-18-19(20-11-5-7-13-23(20)28)17-22(26(31)29-15-9-4-10-16-29)27-25(30)21-12-6-8-14-24(21)32-2/h5-8,11-14,17-18H,3-4,9-10,15-16H2,1-2H3,(H,27,30)/b22-17-.
What are the key properties of N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide?
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide has a molecular weight of 431.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 46262149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).