1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one

C15H20N2O3 — CID 115067053

IUPAC1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1COCC2(CCNCC2)N1Cc1ccc(O)cc1
InChIInChI=1S/C15H20N2O3/c18-13-3-1-12(2-4-13)9-17-14(19)10-20-11-15(17)5-7-16-8-6-15/h1-4,16,18H,5-11H2
InChIKeyYWBPTUOJYKVQMM-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.87
Rot. Bonds2

About 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one

1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 115067053) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID115067053
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1COCC2(CCNCC2)N1Cc1ccc(O)cc1
InChIInChI=1S/C15H20N2O3/c18-13-3-1-12(2-4-13)9-17-14(19)10-20-11-15(17)5-7-16-8-6-15/h1-4,16,18H,5-11H2
InChIKeyYWBPTUOJYKVQMM-UHFFFAOYSA-N
XLogP0.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one (CID 115067053) is 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one is O=C1COCC2(CCNCC2)N1Cc1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is YWBPTUOJYKVQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13-3-1-12(2-4-13)9-17-14(19)10-20-11-15(17)5-7-16-8-6-15/h1-4,16,18H,5-11H2.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 115067053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).