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

C18H24N2O4 — CID 72938618

IUPAC2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(C(=O)c3cc(=O)cc(C)o3)C2)C1=O
InChIInChI=1S/C18H24N2O4/c1-3-7-19-8-4-5-18(17(19)23)6-9-20(12-18)16(22)15-11-14(21)10-13(2)24-15/h10-11H,3-9,12H2,1-2H3
InChIKeyGAJZNCVGSDTAIQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.81
Rot. Bonds3

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

2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72938618) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72938618
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(C(=O)c3cc(=O)cc(C)o3)C2)C1=O
InChIInChI=1S/C18H24N2O4/c1-3-7-19-8-4-5-18(17(19)23)6-9-20(12-18)16(22)15-11-14(21)10-13(2)24-15/h10-11H,3-9,12H2,1-2H3
InChIKeyGAJZNCVGSDTAIQ-UHFFFAOYSA-N
XLogP1.81
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-isopropyl-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72879250
7-(2-hydroxyethyl)-2-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72842964
7-Cyclopentyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72853242
7-(2-methoxyethyl)-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853412
2-isopropyl-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72866813
2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72879436
2-[3-(dimethylamino)propyl]-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72880630
7-cyclohexyl-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72884086
7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72891593
7-(cyclopropylmethyl)-2-[(5-methoxy-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72894804
7-cyclopentyl-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895291
7-isopropyl-2-[(5-methoxy-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72897324

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 72938618) is 2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCCC2(CCN(C(=O)c3cc(=O)cc(C)o3)C2)C1=O.
What is the InChIKey of 2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GAJZNCVGSDTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-7-19-8-4-5-18(17(19)23)6-9-20(12-18)16(22)15-11-14(21)10-13(2)24-15/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxopyran-2-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72938618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).