4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one

C15H28N2O2 — CID 134907588

IUPAC4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1(C)CN(C(C)(C)CO)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H28N2O2/c1-13(2)10-17(14(3,4)11-18)12(19)15(16-13)8-6-5-7-9-15/h16,18H,5-11H2,1-4H3
InChIKeyKOULWOCNSJDVDQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.67
Rot. Bonds2

About 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one

4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 134907588) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID134907588
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1(C)CN(C(C)(C)CO)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H28N2O2/c1-13(2)10-17(14(3,4)11-18)12(19)15(16-13)8-6-5-7-9-15/h16,18H,5-11H2,1-4H3
InChIKeyKOULWOCNSJDVDQ-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one (CID 134907588) is 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one is CC1(C)CN(C(C)(C)CO)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is KOULWOCNSJDVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)10-17(14(3,4)11-18)12(19)15(16-13)8-6-5-7-9-15/h16,18H,5-11H2,1-4H3.
What are the key properties of 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 268.40 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134907588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).