7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C20H28N2O4 — CID 72891593

IUPAC7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1coc(CN2CCC3(CCCN(CC4CCC4)C3=O)C2)cc1=O
InChIInChI=1S/C20H28N2O4/c1-25-18-13-26-16(10-17(18)23)12-21-9-7-20(14-21)6-3-8-22(19(20)24)11-15-4-2-5-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyJFGLEOQNARZFLB-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.26
Rot. Bonds5

About 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72891593) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72891593
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1coc(CN2CCC3(CCCN(CC4CCC4)C3=O)C2)cc1=O
InChIInChI=1S/C20H28N2O4/c1-25-18-13-26-16(10-17(18)23)12-21-9-7-20(14-21)6-3-8-22(19(20)24)11-15-4-2-5-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyJFGLEOQNARZFLB-UHFFFAOYSA-N
XLogP2.26
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72891593) is 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COc1coc(CN2CCC3(CCCN(CC4CCC4)C3=O)C2)cc1=O.
What is the InChIKey of 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JFGLEOQNARZFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-18-13-26-16(10-17(18)23)12-21-9-7-20(14-21)6-3-8-22(19(20)24)11-15-4-2-5-15/h10,13,15H,2-9,11-12,14H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 360.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72891593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).