8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H30N4O3 — CID 110084134

IUPAC8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1
InChIInChI=1S/C18H30N4O3/c1-13(2)12-15(23)21-8-4-14(5-9-21)22-16(24)18(19-17(22)25)6-10-20(3)11-7-18/h13-14H,4-12H2,1-3H3,(H,19,25)
InChIKeyOFIZHQSYEZHDMZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.04
Rot. Bonds3

About 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084134) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084134
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1
InChIInChI=1S/C18H30N4O3/c1-13(2)12-15(23)21-8-4-14(5-9-21)22-16(24)18(19-17(22)25)6-10-20(3)11-7-18/h13-14H,4-12H2,1-3H3,(H,19,25)
InChIKeyOFIZHQSYEZHDMZ-UHFFFAOYSA-N
XLogP1.04
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084134) is 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1.
What is the InChIKey of 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OFIZHQSYEZHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-13(2)12-15(23)21-8-4-14(5-9-21)22-16(24)18(19-17(22)25)6-10-20(3)11-7-18/h13-14H,4-12H2,1-3H3,(H,19,25).
What are the key properties of 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 350.46 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).