(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate

C31H44N2O5 — CID 54198241

IUPAC(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate
SMILESCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C31H44N2O5/c1-2-3-4-5-6-7-8-9-10-14-23-32-30(34)37-29-21-24-33(25-22-29)31(35)38-28-19-17-27(18-20-28)36-26-15-12-11-13-16-26/h11-13,15-20,29H,2-10,14,21-25H2,1H3,(H,32,34)
InChIKeyPNJQMPXUOMWCSS-UHFFFAOYSA-N
MW524.70 g/mol
LogP8.09
Rot. Bonds15

About (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate

(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate (PubChem CID 54198241) has the molecular formula C31H44N2O5 and a molecular weight of 524.70 g/mol. Its IUPAC name is (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate
PubChem CID54198241
Molecular FormulaC31H44N2O5
Molecular Weight524.70 g/mol
Exact Mass524.33
IUPAC Name(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate
SMILESCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C31H44N2O5/c1-2-3-4-5-6-7-8-9-10-14-23-32-30(34)37-29-21-24-33(25-22-29)31(35)38-28-19-17-27(18-20-28)36-26-15-12-11-13-16-26/h11-13,15-20,29H,2-10,14,21-25H2,1H3,(H,32,34)
InChIKeyPNJQMPXUOMWCSS-UHFFFAOYSA-N
XLogP8.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.70
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-4-phenoxyphenyl) 4-(hexylcarbamoyloxy)piperidine-1-carboxylate
CID 54271492
6-[4-(hexylcarbamoyloxy)piperidine-1-carbonyl]oxyhexyl-(4-phenoxyphenyl)carbamic acid
CID 67682169
(4-phenoxyphenyl) 3-[1-(nonylcarbamoyloxy)propylcarbamoyloxy]piperidine-1-carboxylate
CID 67599781
(4-phenoxyphenyl) 2-[3-(hexylcarbamoyloxy)propylcarbamoyloxy]piperidine-1-carboxylate
CID 67598920
(4-phenoxyphenyl) 2-[6-(dihexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate
CID 67599493
(4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate
CID 67599393
[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate
CID 67800674
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
bis(4-dodecoxyphenyl) piperidine-1,4-dicarboxylate
CID 14473790

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate?
The IUPAC name of (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate (CID 54198241) is (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate?
The canonical SMILES for (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate is CCCCCCCCCCCCNC(=O)OC1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate?
The InChIKey is PNJQMPXUOMWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N2O5/c1-2-3-4-5-6-7-8-9-10-14-23-32-30(34)37-29-21-24-33(25-22-29)31(35)38-28-19-17-27(18-20-28)36-26-15-12-11-13-16-26/h11-13,15-20,29H,2-10,14,21-25H2,1H3,(H,32,34).
What are the key properties of (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate?
(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate has a molecular weight of 524.70 g/mol, XLogP of 8.09, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 54198241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).