4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C21H29N3O5 — CID 170507431

IUPAC4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)N1CCC2(CC1)CN(C)C(=O)CO2
InChIInChI=1S/C21H29N3O5/c1-14-10-16(15-4-3-7-22-11-15)29-20(27)18(14)19(26)24-8-5-21(6-9-24)13-23(2)17(25)12-28-21/h10,15,22H,3-9,11-13H2,1-2H3
InChIKeyDNFFCFIUAMBQRP-UHFFFAOYSA-N
MW403.48 g/mol
LogP0.88
Rot. Bonds2

About 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 170507431) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID170507431
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)N1CCC2(CC1)CN(C)C(=O)CO2
InChIInChI=1S/C21H29N3O5/c1-14-10-16(15-4-3-7-22-11-15)29-20(27)18(14)19(26)24-8-5-21(6-9-24)13-23(2)17(25)12-28-21/h10,15,22H,3-9,11-13H2,1-2H3
InChIKeyDNFFCFIUAMBQRP-UHFFFAOYSA-N
XLogP0.88
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 170507431) is 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)N1CCC2(CC1)CN(C)C(=O)CO2.
What is the InChIKey of 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DNFFCFIUAMBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-14-10-16(15-4-3-7-22-11-15)29-20(27)18(14)19(26)24-8-5-21(6-9-24)13-23(2)17(25)12-28-21/h10,15,22H,3-9,11-13H2,1-2H3.
What are the key properties of 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 403.48 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 170507431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).