2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H26N2O6 — CID 72871144

IUPAC2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1coc(C(=O)N2CCC3(CCC(=O)N(CC(C)O)C3)CC2)cc1=O
InChIInChI=1S/C19H26N2O6/c1-13(22)10-21-12-19(4-3-17(21)24)5-7-20(8-6-19)18(25)15-9-14(23)16(26-2)11-27-15/h9,11,13,22H,3-8,10,12H2,1-2H3
InChIKeyFBHXADPEOSCWAD-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.87
Rot. Bonds4

About 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72871144) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72871144
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1coc(C(=O)N2CCC3(CCC(=O)N(CC(C)O)C3)CC2)cc1=O
InChIInChI=1S/C19H26N2O6/c1-13(22)10-21-12-19(4-3-17(21)24)5-7-20(8-6-19)18(25)15-9-14(23)16(26-2)11-27-15/h9,11,13,22H,3-8,10,12H2,1-2H3
InChIKeyFBHXADPEOSCWAD-UHFFFAOYSA-N
XLogP0.87
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72871144) is 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is COc1coc(C(=O)N2CCC3(CCC(=O)N(CC(C)O)C3)CC2)cc1=O.
What is the InChIKey of 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FBHXADPEOSCWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-13(22)10-21-12-19(4-3-17(21)24)5-7-20(8-6-19)18(25)15-9-14(23)16(26-2)11-27-15/h9,11,13,22H,3-8,10,12H2,1-2H3.
What are the key properties of 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 378.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-9-(5-methoxy-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72871144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).