7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H26N2O4 — CID 72895291

IUPAC7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCCN(C4CCCC4)C3=O)C2)o1
InChIInChI=1S/C20H26N2O4/c1-14-11-16(23)12-17(26-14)18(24)21-10-8-20(13-21)7-4-9-22(19(20)25)15-5-2-3-6-15/h11-12,15H,2-10,13H2,1H3
InChIKeyCUOJVCPLXPTZTQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.35
Rot. Bonds2

About 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72895291) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72895291
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCCN(C4CCCC4)C3=O)C2)o1
InChIInChI=1S/C20H26N2O4/c1-14-11-16(23)12-17(26-14)18(24)21-10-8-20(13-21)7-4-9-22(19(20)25)15-5-2-3-6-15/h11-12,15H,2-10,13H2,1H3
InChIKeyCUOJVCPLXPTZTQ-UHFFFAOYSA-N
XLogP2.35
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72895291) is 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(=O)cc(C(=O)N2CCC3(CCCN(C4CCCC4)C3=O)C2)o1.
What is the InChIKey of 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CUOJVCPLXPTZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-11-16(23)12-17(26-14)18(24)21-10-8-20(13-21)7-4-9-22(19(20)25)15-5-2-3-6-15/h11-12,15H,2-10,13H2,1H3.
What are the key properties of 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.44 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72895291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).