[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate

C34H43N3O7 — CID 67800674

IUPAC[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(Oc1ccc(Oc2ccccc2)cc1)N1CCC(OC(=O)N2CCC(OC(=O)N3CCC4(CCCC4)CC3)CC2)CC1
InChIInChI=1S/C34H43N3O7/c38-31(42-28-10-8-27(9-11-28)41-26-6-2-1-3-7-26)35-20-12-29(13-21-35)43-32(39)36-22-14-30(15-23-36)44-33(40)37-24-18-34(19-25-37)16-4-5-17-34/h1-3,6-11,29-30H,4-5,12-25H2
InChIKeyYXKFOTICPKAUAP-UHFFFAOYSA-N
MW605.73 g/mol
LogP6.84
Rot. Bonds5

About [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate

[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 67800674) has the molecular formula C34H43N3O7 and a molecular weight of 605.73 g/mol. Its IUPAC name is [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate
PubChem CID67800674
Molecular FormulaC34H43N3O7
Molecular Weight605.73 g/mol
Exact Mass605.31
IUPAC Name[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(Oc1ccc(Oc2ccccc2)cc1)N1CCC(OC(=O)N2CCC(OC(=O)N3CCC4(CCCC4)CC3)CC2)CC1
InChIInChI=1S/C34H43N3O7/c38-31(42-28-10-8-27(9-11-28)41-26-6-2-1-3-7-26)35-20-12-29(13-21-35)43-32(39)36-22-14-30(15-23-36)44-33(40)37-24-18-34(19-25-37)16-4-5-17-34/h1-3,6-11,29-30H,4-5,12-25H2
InChIKeyYXKFOTICPKAUAP-UHFFFAOYSA-N
XLogP6.84
TPSA97.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.73
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

[4-[[1-(4-phenoxyphenoxy)carbonylpiperidine-4-carbonyl]amino]cyclohexyl] 8-azaspiro[4.5]decane-8-carboxylate
CID 67802283
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
(4-phenoxyphenyl) 4-(dodecylcarbamoyloxy)piperidine-1-carboxylate
CID 54198241
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
(4-phenoxyphenyl) thiomorpholine-4-carboxylate
CID 15225159
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate
CID 89146038
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 166411037

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate (CID 67800674) is [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate is O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCC(OC(=O)N2CCC(OC(=O)N3CCC4(CCCC4)CC3)CC2)CC1.
What is the InChIKey of [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is YXKFOTICPKAUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O7/c38-31(42-28-10-8-27(9-11-28)41-26-6-2-1-3-7-26)35-20-12-29(13-21-35)43-32(39)36-22-14-30(15-23-36)44-33(40)37-24-18-34(19-25-37)16-4-5-17-34/h1-3,6-11,29-30H,4-5,12-25H2.
What are the key properties of [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate?
[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 605.73 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 67800674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).