1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone

C19H26N2O5 — CID 4684165

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
SMILESCc1occc1C(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C19H26N2O5/c1-14-16(4-10-24-14)18(23)21-7-2-3-15(13-21)17(22)20-8-5-19(6-9-20)25-11-12-26-19/h4,10,15H,2-3,5-9,11-13H2,1H3
InChIKeyPPFBKUYIUDNSPG-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.81
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 4684165) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
PubChem CID4684165
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
SMILESCc1occc1C(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C19H26N2O5/c1-14-16(4-10-24-14)18(23)21-7-2-3-15(13-21)17(22)20-8-5-19(6-9-20)25-11-12-26-19/h4,10,15H,2-3,5-9,11-13H2,1H3
InChIKeyPPFBKUYIUDNSPG-UHFFFAOYSA-N
XLogP1.81
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone (CID 4684165) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone is Cc1occc1C(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is PPFBKUYIUDNSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-14-16(4-10-24-14)18(23)21-7-2-3-15(13-21)17(22)20-8-5-19(6-9-20)25-11-12-26-19/h4,10,15H,2-3,5-9,11-13H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 4684165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).