(5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H27N3O3 — CID 7639937

IUPAC(5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N([C@@H](C)C(=O)N1CCCCC1)C2=O
InChIInChI=1S/C17H27N3O3/c1-12-8-4-5-9-17(12)15(22)20(16(23)18-17)13(2)14(21)19-10-6-3-7-11-19/h12-13H,3-11H2,1-2H3,(H,18,23)/t12-,13+,17+/m1/s1
InChIKeyKKUAYTFSJAIWHY-IGCXYCKISA-N
MW321.42 g/mol
LogP1.89
Rot. Bonds2

About (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7639937) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7639937
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N([C@@H](C)C(=O)N1CCCCC1)C2=O
InChIInChI=1S/C17H27N3O3/c1-12-8-4-5-9-17(12)15(22)20(16(23)18-17)13(2)14(21)19-10-6-3-7-11-19/h12-13H,3-11H2,1-2H3,(H,18,23)/t12-,13+,17+/m1/s1
InChIKeyKKUAYTFSJAIWHY-IGCXYCKISA-N
XLogP1.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777
(5R,6S)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571778
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 17390675
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
N-[(2R)-butan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940451
N-[(2S)-butan-2-yl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940450
(5S,6S)-6-methyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94205648
3-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 119623423

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7639937) is (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@]12NC(=O)N([C@@H](C)C(=O)N1CCCCC1)C2=O.
What is the InChIKey of (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KKUAYTFSJAIWHY-IGCXYCKISA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-8-4-5-9-17(12)15(22)20(16(23)18-17)13(2)14(21)19-10-6-3-7-11-19/h12-13H,3-11H2,1-2H3,(H,18,23)/t12-,13+,17+/m1/s1.
What are the key properties of (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 321.42 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7639937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).