2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione

C18H30N2O3 — CID 95173000

IUPAC2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCN(C[C@H](O)CN2C(=O)CC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C18H30N2O3/c1-14-5-9-19(10-6-14)12-15(21)13-20-16(22)11-18(17(20)23)7-3-2-4-8-18/h14-15,21H,2-13H2,1H3/t15-/m0/s1
InChIKeyOBPOSZOKMMBHBP-HNNXBMFYSA-N
MW322.45 g/mol
LogP1.79
Rot. Bonds4

About 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione

2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 95173000) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID95173000
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCN(C[C@H](O)CN2C(=O)CC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C18H30N2O3/c1-14-5-9-19(10-6-14)12-15(21)13-20-16(22)11-18(17(20)23)7-3-2-4-8-18/h14-15,21H,2-13H2,1H3/t15-/m0/s1
InChIKeyOBPOSZOKMMBHBP-HNNXBMFYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione (CID 95173000) is 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione is CC1CCN(C[C@H](O)CN2C(=O)CC3(CCCCC3)C2=O)CC1.
What is the InChIKey of 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is OBPOSZOKMMBHBP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14-5-9-19(10-6-14)12-15(21)13-20-16(22)11-18(17(20)23)7-3-2-4-8-18/h14-15,21H,2-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 322.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 95173000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).