4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one

C21H30N2O4 — CID 170503401

IUPAC4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C21H30N2O4/c1-15-13-17(16-5-4-9-22-14-16)27-20(25)18(15)19(24)23-10-7-21(8-11-23)6-2-3-12-26-21/h13,16,22H,2-12,14H2,1H3
InChIKeyVBUNWVZBIPUAGQ-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.59
Rot. Bonds2

About 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one

4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one (PubChem CID 170503401) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one.

Molecular Properties

Compound Name4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one
PubChem CID170503401
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C21H30N2O4/c1-15-13-17(16-5-4-9-22-14-16)27-20(25)18(15)19(24)23-10-7-21(8-11-23)6-2-3-12-26-21/h13,16,22H,2-12,14H2,1H3
InChIKeyVBUNWVZBIPUAGQ-UHFFFAOYSA-N
XLogP2.59
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one?
The IUPAC name of 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one (CID 170503401) is 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one.
What is the SMILES notation for 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one?
The canonical SMILES for 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)N1CCC2(CCCCO2)CC1.
What is the InChIKey of 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one?
The InChIKey is VBUNWVZBIPUAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-15-13-17(16-5-4-9-22-14-16)27-20(25)18(15)19(24)23-10-7-21(8-11-23)6-2-3-12-26-21/h13,16,22H,2-12,14H2,1H3.
What are the key properties of 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one?
4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one has a molecular weight of 374.48 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one is sourced from PubChem (CID 170503401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).