2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H28N2O4 — CID 70738396

IUPAC2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1coc(CN2CCCC3(CCC(=O)N(CC4CC4)C3)C2)cc1=O
InChIInChI=1S/C20H28N2O4/c1-25-18-12-26-16(9-17(18)23)11-21-8-2-6-20(13-21)7-5-19(24)22(14-20)10-15-3-4-15/h9,12,15H,2-8,10-11,13-14H2,1H3
InChIKeyPWBSBDYAQZVEST-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.26
Rot. Bonds5

About 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70738396) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70738396
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1coc(CN2CCCC3(CCC(=O)N(CC4CC4)C3)C2)cc1=O
InChIInChI=1S/C20H28N2O4/c1-25-18-12-26-16(9-17(18)23)11-21-8-2-6-20(13-21)7-5-19(24)22(14-20)10-15-3-4-15/h9,12,15H,2-8,10-11,13-14H2,1H3
InChIKeyPWBSBDYAQZVEST-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 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70738396) is 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is COc1coc(CN2CCCC3(CCC(=O)N(CC4CC4)C3)C2)cc1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PWBSBDYAQZVEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-18-12-26-16(9-17(18)23)11-21-8-2-6-20(13-21)7-5-19(24)22(14-20)10-15-3-4-15/h9,12,15H,2-8,10-11,13-14H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-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 2-(cyclopropylmethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70738396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).