N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide

C30H36N2O3 — CID 163750790

IUPACN-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(/C(=C(/CCCO)C2=CC=CCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H36N2O3/c33-21-7-10-28(23-8-3-1-4-9-23)30(25-13-17-27(34)18-14-25)24-11-15-26(16-12-24)31-29(35)22-32-19-5-2-6-20-32/h1,3,8,11-18,33-34H,2,4-7,9-10,19-22H2,(H,31,35)/b30-28+
InChIKeyLPUYGSPHZKCNJO-SJCQXOIGSA-N
MW472.63 g/mol
LogP5.67
Rot. Bonds9

About N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide

N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 163750790) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide
PubChem CID163750790
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC NameN-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(/C(=C(/CCCO)C2=CC=CCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H36N2O3/c33-21-7-10-28(23-8-3-1-4-9-23)30(25-13-17-27(34)18-14-25)24-11-15-26(16-12-24)31-29(35)22-32-19-5-2-6-20-32/h1,3,8,11-18,33-34H,2,4-7,9-10,19-22H2,(H,31,35)/b30-28+
InChIKeyLPUYGSPHZKCNJO-SJCQXOIGSA-N
XLogP5.67
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(4-hydroxyphenyl)ethyl]phenyl]-2-piperidin-1-ylacetamide
CID 145430137
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol
CID 138493046
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
CID 119871121
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide (CID 163750790) is N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc(/C(=C(/CCCO)C2=CC=CCC2)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is LPUYGSPHZKCNJO-SJCQXOIGSA-N. The full InChI is InChI=1S/C30H36N2O3/c33-21-7-10-28(23-8-3-1-4-9-23)30(25-13-17-27(34)18-14-25)24-11-15-26(16-12-24)31-29(35)22-32-19-5-2-6-20-32/h1,3,8,11-18,33-34H,2,4-7,9-10,19-22H2,(H,31,35)/b30-28+.
What are the key properties of N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide?
N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 472.63 g/mol, XLogP of 5.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 163750790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).