1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide

C26H34N2O6 — CID 90290240

IUPAC1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C1CCN(CCO)CC1
InChIInChI=1S/C26H34N2O6/c1-31-22-8-7-18(5-6-19-16-23(32-2)25(34-4)24(17-19)33-3)15-21(22)27-26(30)20-9-11-28(12-10-20)13-14-29/h5-8,15-17,20,29H,9-14H2,1-4H3,(H,27,30)/b6-5-
InChIKeySRRCXRAKODCXQM-WAYWQWQTSA-N
MW470.57 g/mol
LogP3.53
Rot. Bonds10

About 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide

1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide (PubChem CID 90290240) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide
PubChem CID90290240
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Name1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C1CCN(CCO)CC1
InChIInChI=1S/C26H34N2O6/c1-31-22-8-7-18(5-6-19-16-23(32-2)25(34-4)24(17-19)33-3)15-21(22)27-26(30)20-9-11-28(12-10-20)13-14-29/h5-8,15-17,20,29H,9-14H2,1-4H3,(H,27,30)/b6-5-
InChIKeySRRCXRAKODCXQM-WAYWQWQTSA-N
XLogP3.53
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
2-amino-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521879
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
[(2S)-3-hydroxy-1-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-oxopropan-2-yl]azanium chloride
CID 135019706
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423
(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-methylbutanamide
CID 68521811
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide (CID 90290240) is 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C1CCN(CCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide?
The InChIKey is SRRCXRAKODCXQM-WAYWQWQTSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-31-22-8-7-18(5-6-19-16-23(32-2)25(34-4)24(17-19)33-3)15-21(22)27-26(30)20-9-11-28(12-10-20)13-14-29/h5-8,15-17,20,29H,9-14H2,1-4H3,(H,27,30)/b6-5-.
What are the key properties of 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide?
1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 90290240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).