3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C20H34N4O4 — CID 21926956

IUPAC3-(2-methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCN1C(=O)C(NC(=O)C12CCN(CC2)C(=O)N3CCOCC3)CC(C)C
InChIInChI=1S/C20H34N4O4/c1-4-7-24-17(25)16(14-15(2)3)21-18(26)20(24)5-8-22(9-6-20)19(27)23-10-12-28-13-11-23/h15-16H,4-14H2,1-3H3,(H,21,26)
InChIKeyDBRHLLHPMBRMQA-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.00
Rot. Bonds4

About 3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione

3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 21926956) has the molecular formula C20H34N4O4 and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-(2-methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID21926956
Molecular FormulaC20H34N4O4
Molecular Weight394.50 g/mol
Exact Mass394.26
IUPAC Name3-(2-methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCN1C(=O)C(NC(=O)C12CCN(CC2)C(=O)N3CCOCC3)CC(C)C
InChIInChI=1S/C20H34N4O4/c1-4-7-24-17(25)16(14-15(2)3)21-18(26)20(24)5-8-22(9-6-20)19(27)23-10-12-28-13-11-23/h15-16H,4-14H2,1-3H3,(H,21,26)
InChIKeyDBRHLLHPMBRMQA-UHFFFAOYSA-N
XLogP1.00
TPSA82.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity595

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 21926956) is 3-(2-methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione is CCCN1C(=O)C(NC(=O)C12CCN(CC2)C(=O)N3CCOCC3)CC(C)C.
What is the InChIKey of 3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is DBRHLLHPMBRMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-4-7-24-17(25)16(14-15(2)3)21-18(26)20(24)5-8-22(9-6-20)19(27)23-10-12-28-13-11-23/h15-16H,4-14H2,1-3H3,(H,21,26).
What are the key properties of 3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 394.50 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 21926956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).