3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

C27H31N3O5 — CID 46262199

IUPAC3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESCOc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C27H31N3O5/c1-29-17-19(20-10-6-7-11-22(20)29)14-21(27(32)30-12-8-5-9-13-30)28-26(31)18-15-23(33-2)25(35-4)24(16-18)34-3/h6-7,10-11,14-17H,5,8-9,12-13H2,1-4H3,(H,28,31)/b21-14-
InChIKeyHWUWDCCLWKBWSW-STZFKDTASA-N
MW477.56 g/mol
LogP3.99
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide (PubChem CID 46262199) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
PubChem CID46262199
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESCOc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C27H31N3O5/c1-29-17-19(20-10-6-7-11-22(20)29)14-21(27(32)30-12-8-5-9-13-30)28-26(31)18-15-23(33-2)25(35-4)24(16-18)34-3/h6-7,10-11,14-17H,5,8-9,12-13H2,1-4H3,(H,28,31)/b21-14-
InChIKeyHWUWDCCLWKBWSW-STZFKDTASA-N
XLogP3.99
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262181
3,4-dimethoxy-N-[1-(1-methylindol-3-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 3383337
N-[(Z)-3-(2-hydroxyethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262195
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 46262149
N-[3-[2-(diethylamino)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 3887374
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-[1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridine-4-carboxamide
CID 91023383
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-[(Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 46262034
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-methylbenzamide
CID 46262033
N-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3090292

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide (CID 46262199) is 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is COc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The InChIKey is HWUWDCCLWKBWSW-STZFKDTASA-N. The full InChI is InChI=1S/C27H31N3O5/c1-29-17-19(20-10-6-7-11-22(20)29)14-21(27(32)30-12-8-5-9-13-30)28-26(31)18-15-23(33-2)25(35-4)24(16-18)34-3/h6-7,10-11,14-17H,5,8-9,12-13H2,1-4H3,(H,28,31)/b21-14-.
What are the key properties of 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide has a molecular weight of 477.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 46262199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).