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

C20H26N2O4 — CID 72935405

IUPAC7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)o1
InChIInChI=1S/C20H26N2O4/c1-14-10-16(23)11-17(26-14)18(24)22-9-7-20(13-22)6-3-8-21(19(20)25)12-15-4-2-5-15/h10-11,15H,2-9,12-13H2,1H3
InChIKeyXHAYAGUZSLWTMW-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.20
Rot. Bonds3

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

7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72935405) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72935405
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)o1
InChIInChI=1S/C20H26N2O4/c1-14-10-16(23)11-17(26-14)18(24)22-9-7-20(13-22)6-3-8-21(19(20)25)12-15-4-2-5-15/h10-11,15H,2-9,12-13H2,1H3
InChIKeyXHAYAGUZSLWTMW-UHFFFAOYSA-N
XLogP2.20
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72935405) is 7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(=O)cc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)o1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XHAYAGUZSLWTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-10-16(23)11-17(26-14)18(24)22-9-7-20(13-22)6-3-8-21(19(20)25)12-15-4-2-5-15/h10-11,15H,2-9,12-13H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-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 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72935405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).