N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide

C28H30N2O3 — CID 71723874

IUPACN-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(NC(=O)N2CCCCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C28H30N2O3/c1-2-26(20-8-14-24(31)15-9-20)27(22-10-16-25(32)17-11-22)21-6-12-23(13-7-21)29-28(33)30-18-4-3-5-19-30/h6-17,31-32H,2-5,18-19H2,1H3,(H,29,33)/b27-26+
InChIKeyUMOYHUFFASXCSK-CYYJNZCTSA-N
MW442.56 g/mol
LogP6.48
Rot. Bonds5

About N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide

N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide (PubChem CID 71723874) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide
PubChem CID71723874
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(NC(=O)N2CCCCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C28H30N2O3/c1-2-26(20-8-14-24(31)15-9-20)27(22-10-16-25(32)17-11-22)21-6-12-23(13-7-21)29-28(33)30-18-4-3-5-19-30/h6-17,31-32H,2-5,18-19H2,1H3,(H,29,33)/b27-26+
InChIKeyUMOYHUFFASXCSK-CYYJNZCTSA-N
XLogP6.48
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

US10934303, Example 20
CID 137348774
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CID 9872656
3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
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1-[(5-Bromo-2-hydroxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
CID 56680181
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CID 16094416
1-(2''-Methoxybiphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831056
4-benzyl-N-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 68341722
Urea derivative, 16
CID 49855259
4-(4-hydroxyphenyl)-8-methyl-2-(p-tolylamino)-1H-pyrimido[1,2-a][1,3,5]triazin-6(4H)-one
CID 667321
N-benzhydryl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2400963
2-[4-(4-Hydroxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16094670
N-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetamide
CID 44284257

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide (CID 71723874) is N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide is CC/C(=C(\c1ccc(O)cc1)c1ccc(NC(=O)N2CCCCC2)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide?
The InChIKey is UMOYHUFFASXCSK-CYYJNZCTSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-2-26(20-8-14-24(31)15-9-20)27(22-10-16-25(32)17-11-22)21-6-12-23(13-7-21)29-28(33)30-18-4-3-5-19-30/h6-17,31-32H,2-5,18-19H2,1H3,(H,29,33)/b27-26+.
What are the key properties of N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide?
N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 6.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 71723874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).