3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C17H27N3O3 — CID 7916573

IUPAC3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESC[C@H](C(=O)N1CCCCC1)N1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C17H27N3O3/c1-13(14(21)19-11-7-4-8-12-19)20-15(22)17(18-16(20)23)9-5-2-3-6-10-17/h13H,2-12H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyGNJLMVVEZNVSFF-CYBMUJFWSA-N
MW321.42 g/mol
LogP2.03
Rot. Bonds2

About 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 7916573) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID7916573
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESC[C@H](C(=O)N1CCCCC1)N1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C17H27N3O3/c1-13(14(21)19-11-7-4-8-12-19)20-15(22)17(18-16(20)23)9-5-2-3-6-10-17/h13H,2-12H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyGNJLMVVEZNVSFF-CYBMUJFWSA-N
XLogP2.03
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 ≤ 52.03
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-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 155959407
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
3-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 120809899
3-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 119623423
(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
3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 120819908
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71872147
1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 96578382
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154896262
3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 166226281
3-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 120572016

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 7916573) is 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione is C[C@H](C(=O)N1CCCCC1)N1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is GNJLMVVEZNVSFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13(14(21)19-11-7-4-8-12-19)20-15(22)17(18-16(20)23)9-5-2-3-6-10-17/h13H,2-12H2,1H3,(H,18,23)/t13-/m1/s1.
What are the key properties of 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 321.42 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 7916573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).