ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate

C26H37N3O6 — CID 67392867

IUPACethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1=NOC2(CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1
InChIInChI=1S/C26H37N3O6/c1-6-33-24(32)20-9-7-8-12-29(20)23(31)19-16-26(35-27-19)10-13-28(14-11-26)22(30)18-15-21(25(3,4)5)34-17(18)2/h15,20H,6-14,16H2,1-5H3
InChIKeyNRXXZKQYLXVVFU-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.58
Rot. Bonds4

About ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate

ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate (PubChem CID 67392867) has the molecular formula C26H37N3O6 and a molecular weight of 487.60 g/mol. Its IUPAC name is ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate
PubChem CID67392867
Molecular FormulaC26H37N3O6
Molecular Weight487.60 g/mol
Exact Mass487.27
IUPAC Nameethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1=NOC2(CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1
InChIInChI=1S/C26H37N3O6/c1-6-33-24(32)20-9-7-8-12-29(20)23(31)19-16-26(35-27-19)10-13-28(14-11-26)22(30)18-15-21(25(3,4)5)34-17(18)2/h15,20H,6-14,16H2,1-5H3
InChIKeyNRXXZKQYLXVVFU-UHFFFAOYSA-N
XLogP3.58
TPSA101.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate (CID 67392867) is ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C1=NOC2(CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1.
What is the InChIKey of ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate?
The InChIKey is NRXXZKQYLXVVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O6/c1-6-33-24(32)20-9-7-8-12-29(20)23(31)19-16-26(35-27-19)10-13-28(14-11-26)22(30)18-15-21(25(3,4)5)34-17(18)2/h15,20H,6-14,16H2,1-5H3.
What are the key properties of ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate?
ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate has a molecular weight of 487.60 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[8-(5-tert-butyl-2-methylfuran-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 67392867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).