1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one

C16H22N2O3 — CID 115067144

IUPAC1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one
SMILESO=C1COCC2(CCCNCC2)N1Cc1ccc(O)cc1
InChIInChI=1S/C16H22N2O3/c19-14-4-2-13(3-5-14)10-18-15(20)11-21-12-16(18)6-1-8-17-9-7-16/h2-5,17,19H,1,6-12H2
InChIKeyQLBMINZIJGSSDE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.26
Rot. Bonds2

About 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one

1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one (PubChem CID 115067144) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one
PubChem CID115067144
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one
SMILESO=C1COCC2(CCCNCC2)N1Cc1ccc(O)cc1
InChIInChI=1S/C16H22N2O3/c19-14-4-2-13(3-5-14)10-18-15(20)11-21-12-16(18)6-1-8-17-9-7-16/h2-5,17,19H,1,6-12H2
InChIKeyQLBMINZIJGSSDE-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one (CID 115067144) is 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one is O=C1COCC2(CCCNCC2)N1Cc1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one?
The InChIKey is QLBMINZIJGSSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14-4-2-13(3-5-14)10-18-15(20)11-21-12-16(18)6-1-8-17-9-7-16/h2-5,17,19H,1,6-12H2.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one?
1-[(4-hydroxyphenyl)methyl]-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.26, 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-1,10-diazaspiro[5.6]dodecan-2-one is sourced from PubChem (CID 115067144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).