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

C19H32N4O3 — CID 110084347

IUPAC3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)C(C)C)C1)C2=O
InChIInChI=1S/C19H32N4O3/c1-4-9-21-11-7-19(8-12-21)17(25)23(18(26)20-19)15-6-5-10-22(13-15)16(24)14(2)3/h14-15H,4-13H2,1-3H3,(H,20,26)
InChIKeyPZRSEYLUGXXARD-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.43
Rot. Bonds4

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

3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084347) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084347
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)C(C)C)C1)C2=O
InChIInChI=1S/C19H32N4O3/c1-4-9-21-11-7-19(8-12-21)17(25)23(18(26)20-19)15-6-5-10-22(13-15)16(24)14(2)3/h14-15H,4-13H2,1-3H3,(H,20,26)
InChIKeyPZRSEYLUGXXARD-UHFFFAOYSA-N
XLogP1.43
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.43
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 3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084347) is 3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)C(C)C)C1)C2=O.
What is the InChIKey of 3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PZRSEYLUGXXARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-4-9-21-11-7-19(8-12-21)17(25)23(18(26)20-19)15-6-5-10-22(13-15)16(24)14(2)3/h14-15H,4-13H2,1-3H3,(H,20,26).
What are the key properties of 3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 364.49 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).