2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

C16H28N2O2 — CID 86283577

IUPAC2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CCC2(CCC(=O)N(C3CCC3)C2)CC1
InChIInChI=1S/C16H28N2O2/c1-13(19)11-17-9-7-16(8-10-17)6-5-15(20)18(12-16)14-3-2-4-14/h13-14,19H,2-12H2,1H3
InChIKeyMDQZHFKOOXWWNU-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.62
Rot. Bonds3

About 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 86283577) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID86283577
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CCC2(CCC(=O)N(C3CCC3)C2)CC1
InChIInChI=1S/C16H28N2O2/c1-13(19)11-17-9-7-16(8-10-17)6-5-15(20)18(12-16)14-3-2-4-14/h13-14,19H,2-12H2,1H3
InChIKeyMDQZHFKOOXWWNU-UHFFFAOYSA-N
XLogP1.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Hydroxyethyl)-9-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72888460
3-[2-(3-Hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590487
1-(1-Acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54409015
Ethane;3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 141952786
2-(2-Hydroxypropyl)-9-(1-pyrrolidinylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926553
7-(2-Hydroxypropyl)-7-azaspiro[3.5]nonan-8-one
CID 84034253
7-(2-Hydroxypropyl)-7-azaspiro[3.5]nonane-6,8-dione
CID 84035720
2-(2-hydroxyethyl)-9-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97131712
2-(2-hydroxyethyl)-9-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97131713
2-[(2S)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97150088
2-[(2R)-2-hydroxypropyl]-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97150089
3-(1-acetylpiperidin-4-yl)-N-(2-hydroxypropyl)-N-propan-2-ylpropanamide
CID 109904984

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 86283577) is 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(O)CN1CCC2(CCC(=O)N(C3CCC3)C2)CC1.
What is the InChIKey of 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MDQZHFKOOXWWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(19)11-17-9-7-16(8-10-17)6-5-15(20)18(12-16)14-3-2-4-14/h13-14,19H,2-12H2,1H3.
What are the key properties of 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 280.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-9-(2-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 86283577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).