(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N2O3 — CID 25384072

IUPAC(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)CN1CCC[C@]2(CCN(C(=O)C3CCOCC3)C2)C1=O
InChIInChI=1S/C19H32N2O3/c1-18(2,3)13-21-9-4-7-19(17(21)23)8-10-20(14-19)16(22)15-5-11-24-12-6-15/h15H,4-14H2,1-3H3/t19-/m1/s1
InChIKeyYWOXSNAPJHBIBJ-LJQANCHMSA-N
MW336.48 g/mol
LogP2.30
Rot. Bonds2

About (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25384072) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25384072
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)CN1CCC[C@]2(CCN(C(=O)C3CCOCC3)C2)C1=O
InChIInChI=1S/C19H32N2O3/c1-18(2,3)13-21-9-4-7-19(17(21)23)8-10-20(14-19)16(22)15-5-11-24-12-6-15/h15H,4-14H2,1-3H3/t19-/m1/s1
InChIKeyYWOXSNAPJHBIBJ-LJQANCHMSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897609
7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45229489
(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895110
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
2-(1-methylpyrazol-4-yl)-7-(oxane-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131660715
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
(5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25384367
(5S)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42244220
(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25456250
9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131650241
(5R)-2-(cyclobutanecarbonyl)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25283016

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 25384072) is (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)(C)CN1CCC[C@]2(CCN(C(=O)C3CCOCC3)C2)C1=O.
What is the InChIKey of (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YWOXSNAPJHBIBJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-18(2,3)13-21-9-4-7-19(17(21)23)8-10-20(14-19)16(22)15-5-11-24-12-6-15/h15H,4-14H2,1-3H3/t19-/m1/s1.
What are the key properties of (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 336.48 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25384072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).