3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C18H31N3O3 — CID 95582367

IUPAC3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC1CCN(C[C@H](O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1
InChIInChI=1S/C18H31N3O3/c1-14-6-10-20(11-7-14)12-15(22)13-21-16(23)18(19-17(21)24)8-4-2-3-5-9-18/h14-15,22H,2-13H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeyIMJQFEOPLMUDCJ-HNNXBMFYSA-N
MW337.46 g/mol
LogP1.72
Rot. Bonds4

About 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 95582367) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID95582367
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC1CCN(C[C@H](O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1
InChIInChI=1S/C18H31N3O3/c1-14-6-10-20(11-7-14)12-15(22)13-21-16(23)18(19-17(21)24)8-4-2-3-5-9-18/h14-15,22H,2-13H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeyIMJQFEOPLMUDCJ-HNNXBMFYSA-N
XLogP1.72
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 47556102
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47556184
2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione
CID 95173000
2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60585200
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 110932644
5-(furan-2-yl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556335
3-(3-bromo-2-hydroxypropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 112560051
3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95390025
5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556194
5-(2,4-dichlorophenyl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556171
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 47556168
3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 9459460

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 95582367) is 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CC1CCN(C[C@H](O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1.
What is the InChIKey of 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is IMJQFEOPLMUDCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-14-6-10-20(11-7-14)12-15(22)13-21-16(23)18(19-17(21)24)8-4-2-3-5-9-18/h14-15,22H,2-13H2,1H3,(H,19,24)/t15-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 337.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 95582367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).