1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H32N4O4 — CID 55369271

IUPAC1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CC(=O)N2CCN(CC3CCCO3)CC2)C(=O)C12CCCCC2
InChIInChI=1S/C20H32N4O4/c1-21-19(27)24(18(26)20(21)7-3-2-4-8-20)15-17(25)23-11-9-22(10-12-23)14-16-6-5-13-28-16/h16H,2-15H2,1H3
InChIKeyCJOLGYACUUTFNT-UHFFFAOYSA-N
MW392.50 g/mol
LogP0.91
Rot. Bonds4

About 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55369271) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID55369271
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CC(=O)N2CCN(CC3CCCO3)CC2)C(=O)C12CCCCC2
InChIInChI=1S/C20H32N4O4/c1-21-19(27)24(18(26)20(21)7-3-2-4-8-20)15-17(25)23-11-9-22(10-12-23)14-16-6-5-13-28-16/h16H,2-15H2,1H3
InChIKeyCJOLGYACUUTFNT-UHFFFAOYSA-N
XLogP0.91
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55369271) is 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(CC(=O)N2CCN(CC3CCCO3)CC2)C(=O)C12CCCCC2.
What is the InChIKey of 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CJOLGYACUUTFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-21-19(27)24(18(26)20(21)7-3-2-4-8-20)15-17(25)23-11-9-22(10-12-23)14-16-6-5-13-28-16/h16H,2-15H2,1H3.
What are the key properties of 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55369271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).