1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C17H30N4O3 — CID 23577563

IUPAC1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)C(CN2CCOCC2)NC(=O)C12CCNCC2
InChIInChI=1S/C17H30N4O3/c1-2-3-8-21-15(22)14(13-20-9-11-24-12-10-20)19-16(23)17(21)4-6-18-7-5-17/h14,18H,2-13H2,1H3,(H,19,23)
InChIKeyFBFFHDDQAMCQGR-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.43
Rot. Bonds5

About 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione

1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 23577563) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID23577563
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)C(CN2CCOCC2)NC(=O)C12CCNCC2
InChIInChI=1S/C17H30N4O3/c1-2-3-8-21-15(22)14(13-20-9-11-24-12-10-20)19-16(23)17(21)4-6-18-7-5-17/h14,18H,2-13H2,1H3,(H,19,23)
InChIKeyFBFFHDDQAMCQGR-UHFFFAOYSA-N
XLogP-0.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 23577563) is 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione is CCCCN1C(=O)C(CN2CCOCC2)NC(=O)C12CCNCC2.
What is the InChIKey of 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is FBFFHDDQAMCQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-2-3-8-21-15(22)14(13-20-9-11-24-12-10-20)19-16(23)17(21)4-6-18-7-5-17/h14,18H,2-13H2,1H3,(H,19,23).
What are the key properties of 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 338.45 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 23577563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).