(4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate

C25H32N2O6 — CID 67599393

IUPAC(4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate
SMILESO=C(NCCCCCCO)OC1CCCCN1C(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H32N2O6/c28-19-9-2-1-7-17-26-24(29)33-23-12-6-8-18-27(23)25(30)32-22-15-13-21(14-16-22)31-20-10-4-3-5-11-20/h3-5,10-11,13-16,23,28H,1-2,6-9,12,17-19H2,(H,26,29)
InChIKeySVYFXKHYFMCYOR-UHFFFAOYSA-N
MW456.54 g/mol
LogP5.07
Rot. Bonds10

About (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate

(4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate (PubChem CID 67599393) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate
PubChem CID67599393
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Name(4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate
SMILESO=C(NCCCCCCO)OC1CCCCN1C(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H32N2O6/c28-19-9-2-1-7-17-26-24(29)33-23-12-6-8-18-27(23)25(30)32-22-15-13-21(14-16-22)31-20-10-4-3-5-11-20/h3-5,10-11,13-16,23,28H,1-2,6-9,12,17-19H2,(H,26,29)
InChIKeySVYFXKHYFMCYOR-UHFFFAOYSA-N
XLogP5.07
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenoxyphenyl) 2-[3-(hexylcarbamoyloxy)propylcarbamoyloxy]piperidine-1-carboxylate
CID 67598920
(4-phenoxyphenyl) 2-[6-(dihexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate
CID 67599493
(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate
CID 54198241
(4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate
CID 67599855
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
phenyl (2S)-2-methoxypyrrolidine-1-carboxylate
CID 129388318
(4-phenoxyphenyl) 3-[1-(nonylcarbamoyloxy)propylcarbamoyloxy]piperidine-1-carboxylate
CID 67599781
(2-fluoro-4-phenoxyphenyl) 4-(hexylcarbamoyloxy)piperidine-1-carboxylate
CID 54271492
phenyl 2-methylpyrrolidine-1-carboxylate
CID 64593255
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 175180660
(2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate
CID 142632527

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate?
The IUPAC name of (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate (CID 67599393) is (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate?
The canonical SMILES for (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate is O=C(NCCCCCCO)OC1CCCCN1C(=O)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate?
The InChIKey is SVYFXKHYFMCYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/c28-19-9-2-1-7-17-26-24(29)33-23-12-6-8-18-27(23)25(30)32-22-15-13-21(14-16-22)31-20-10-4-3-5-11-20/h3-5,10-11,13-16,23,28H,1-2,6-9,12,17-19H2,(H,26,29).
What are the key properties of (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate?
(4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate has a molecular weight of 456.54 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 67599393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).