(4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate

C32H51N3O6 — CID 67599855

IUPAC(4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate
SMILESCCCCCCNC(=O)OC(CCCCC)NC(=O)OC1CCCCN1C(=O)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C32H51N3O6/c1-3-5-7-13-23-33-30(36)40-28(17-9-6-4-2)34-31(37)41-29-18-12-14-24-35(29)32(38)39-27-21-19-26(20-22-27)25-15-10-8-11-16-25/h19-22,25,28-29H,3-18,23-24H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyLGOVJTINTFNVCC-UHFFFAOYSA-N
MW573.78 g/mol
LogP7.98
Rot. Bonds14

About (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate

(4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate (PubChem CID 67599855) has the molecular formula C32H51N3O6 and a molecular weight of 573.78 g/mol. Its IUPAC name is (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate
PubChem CID67599855
Molecular FormulaC32H51N3O6
Molecular Weight573.78 g/mol
Exact Mass573.38
IUPAC Name(4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate
SMILESCCCCCCNC(=O)OC(CCCCC)NC(=O)OC1CCCCN1C(=O)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C32H51N3O6/c1-3-5-7-13-23-33-30(36)40-28(17-9-6-4-2)34-31(37)41-29-18-12-14-24-35(29)32(38)39-27-21-19-26(20-22-27)25-15-10-8-11-16-25/h19-22,25,28-29H,3-18,23-24H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyLGOVJTINTFNVCC-UHFFFAOYSA-N
XLogP7.98
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.78
LogP ≤ 57.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-phenoxyphenyl) 2-[3-(hexylcarbamoyloxy)propylcarbamoyloxy]piperidine-1-carboxylate
CID 67598920
(4-phenoxyphenyl) 3-[1-(nonylcarbamoyloxy)propylcarbamoyloxy]piperidine-1-carboxylate
CID 67599781
(4-phenoxyphenyl) 2-(6-hydroxyhexylcarbamoyloxy)piperidine-1-carboxylate
CID 67599393
(4-phenoxyphenyl) 2-[6-(dihexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate
CID 67599493
(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate
CID 54198241
(4-cyclohexylphenyl) 4-decoxybenzoate
CID 70557879
(4-cyclohexylphenyl) (4-nonylphenyl) carbonate
CID 175454006
[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate
CID 69288071
1-cyclohexyl-4-heptoxybenzene
CID 56628106
(4-cyclohexylphenyl) 4-hexoxycyclohexane-1-carboxylate
CID 70557261
1-cyclohexylethyl N-nonylcarbamate
CID 123611049
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate?
The IUPAC name of (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate (CID 67599855) is (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate.
What is the SMILES notation for (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate?
The canonical SMILES for (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate is CCCCCCNC(=O)OC(CCCCC)NC(=O)OC1CCCCN1C(=O)Oc1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate?
The InChIKey is LGOVJTINTFNVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51N3O6/c1-3-5-7-13-23-33-30(36)40-28(17-9-6-4-2)34-31(37)41-29-18-12-14-24-35(29)32(38)39-27-21-19-26(20-22-27)25-15-10-8-11-16-25/h19-22,25,28-29H,3-18,23-24H2,1-2H3,(H,33,36)(H,34,37).
What are the key properties of (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate?
(4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate has a molecular weight of 573.78 g/mol, XLogP of 7.98, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl) 2-[1-(hexylcarbamoyloxy)hexylcarbamoyloxy]piperidine-1-carboxylate is sourced from PubChem (CID 67599855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).