azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone

C29H42N2O3 — CID 174608538

IUPACazane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone
SMILESCCC(CCc1ccc(O)cc1)C1CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1.N
InChIInChI=1S/C29H39NO3.H3N/c1-2-23(15-12-22-13-16-27(31)17-14-22)24-18-20-30(21-19-24)28(32)29(33,26-10-6-7-11-26)25-8-4-3-5-9-25;/h3-5,8-9,13-14,16-17,23-24,26,31,33H,2,6-7,10-12,15,18-21H2,1H3;1H3
InChIKeyJMYWPMSSRUNIMS-UHFFFAOYSA-N
MW466.67 g/mol
LogP5.83
Rot. Bonds8

About azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone

azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 174608538) has the molecular formula C29H42N2O3 and a molecular weight of 466.67 g/mol. Its IUPAC name is azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Nameazane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone
PubChem CID174608538
Molecular FormulaC29H42N2O3
Molecular Weight466.67 g/mol
Exact Mass466.32
IUPAC Nameazane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone
SMILESCCC(CCc1ccc(O)cc1)C1CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1.N
InChIInChI=1S/C29H39NO3.H3N/c1-2-23(15-12-22-13-16-27(31)17-14-22)24-18-20-30(21-19-24)28(32)29(33,26-10-6-7-11-26)25-8-4-3-5-9-25;/h3-5,8-9,13-14,16-17,23-24,26,31,33H,2,6-7,10-12,15,18-21H2,1H3;1H3
InChIKeyJMYWPMSSRUNIMS-UHFFFAOYSA-N
XLogP5.83
TPSA95.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone with MolForge

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Related Compounds

[1-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]-[2-(4-hydroxyphenyl)ethyl]-methyl-propylazanium
CID 154074531
[1-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)-4-hydroxypiperidin-4-yl]-[2-(4-hydroxyphenyl)ethyl]-dimethylazanium
CID 154106853
[1-[(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-4-hydroxypiperidin-4-yl]-[2-(4-hydroxyphenyl)ethyl]-dimethylazanium
CID 154106182
[1-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]-[2-[4-(2-hydroxyethyl)phenyl]ethyl]-dimethylazanium
CID 154485260
[(3R)-1-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]-dimethyl-(2-phenylethyl)azanium
CID 69231329
2-cyclopentyl-2-hydroxy-2-phenyl-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 122664443
[1-[2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetyl]piperidin-4-yl]-dimethyl-(2-phenylethyl)azanium
CID 25103370
[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-[2-hydroxy-2-(2-hydroxyphenyl)ethyl]-dimethylazanium
CID 154070254
2-cyclopentyl-1-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 134554332
1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
CID 11652351
[2-(4-cyanophenyl)-2-oxoethyl]-[1-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperidin-4-yl]-dimethylazanium
CID 154485266
[1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25222214

Frequently Asked Questions

What is the IUPAC name of azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone (CID 174608538) is azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone is CCC(CCc1ccc(O)cc1)C1CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1.N.
What is the InChIKey of azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is JMYWPMSSRUNIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39NO3.H3N/c1-2-23(15-12-22-13-16-27(31)17-14-22)24-18-20-30(21-19-24)28(32)29(33,26-10-6-7-11-26)25-8-4-3-5-9-25;/h3-5,8-9,13-14,16-17,23-24,26,31,33H,2,6-7,10-12,15,18-21H2,1H3;1H3.
What are the key properties of azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone?
azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 466.67 g/mol, XLogP of 5.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-cyclopentyl-2-hydroxy-1-[4-[1-(4-hydroxyphenyl)pentan-3-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 174608538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).