[4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate

C35H45N3O6 — CID 67802283

IUPAC[4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(NC1CCC(OC(=O)N2CCC3(CCCC3)CC2)CC1)C1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C35H45N3O6/c39-32(36-27-8-10-30(11-9-27)43-34(41)38-24-20-35(21-25-38)18-4-5-19-35)26-16-22-37(23-17-26)33(40)44-31-14-12-29(13-15-31)42-28-6-2-1-3-7-28/h1-3,6-7,12-15,26-27,30H,4-5,8-11,16-25H2,(H,36,39)
InChIKeyQLTQDSMOORYRPB-UHFFFAOYSA-N
MW603.76 g/mol
LogP6.91
Rot. Bonds6

About [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate

[4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 67802283) has the molecular formula C35H45N3O6 and a molecular weight of 603.76 g/mol. Its IUPAC name is [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name[4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate
PubChem CID67802283
Molecular FormulaC35H45N3O6
Molecular Weight603.76 g/mol
Exact Mass603.33
IUPAC Name[4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(NC1CCC(OC(=O)N2CCC3(CCCC3)CC2)CC1)C1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C35H45N3O6/c39-32(36-27-8-10-30(11-9-27)43-34(41)38-24-20-35(21-25-38)18-4-5-19-35)26-16-22-37(23-17-26)33(40)44-31-14-12-29(13-15-31)42-28-6-2-1-3-7-28/h1-3,6-7,12-15,26-27,30H,4-5,8-11,16-25H2,(H,36,39)
InChIKeyQLTQDSMOORYRPB-UHFFFAOYSA-N
XLogP6.91
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.76
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate
CID 67800674
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate
CID 142651449
(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate
CID 54198241
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
(4-phenoxyphenyl) thiomorpholine-4-carboxylate
CID 15225159
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
CID 3112487

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate (CID 67802283) is [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate is O=C(NC1CCC(OC(=O)N2CCC3(CCCC3)CC2)CC1)C1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is QLTQDSMOORYRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N3O6/c39-32(36-27-8-10-30(11-9-27)43-34(41)38-24-20-35(21-25-38)18-4-5-19-35)26-16-22-37(23-17-26)33(40)44-31-14-12-29(13-15-31)42-28-6-2-1-3-7-28/h1-3,6-7,12-15,26-27,30H,4-5,8-11,16-25H2,(H,36,39).
What are the key properties of [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate?
[4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 603.76 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 67802283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).