3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H22FN3O4 — CID 136547627

IUPAC3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCOC(CF)C1
InChIInChI=1S/C15H22FN3O4/c16-9-11-10-18(7-8-23-11)12(20)3-6-19-13(21)15(17-14(19)22)4-1-2-5-15/h11H,1-10H2,(H,17,22)
InChIKeyIHLAMFXQGOZPQL-UHFFFAOYSA-N
MW327.36 g/mol
LogP0.44
Rot. Bonds4

About 3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 136547627) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID136547627
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Name3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCOC(CF)C1
InChIInChI=1S/C15H22FN3O4/c16-9-11-10-18(7-8-23-11)12(20)3-6-19-13(21)15(17-14(19)22)4-1-2-5-15/h11H,1-10H2,(H,17,22)
InChIKeyIHLAMFXQGOZPQL-UHFFFAOYSA-N
XLogP0.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 50.44
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-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 136547627) is 3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCOC(CF)C1.
What is the InChIKey of 3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is IHLAMFXQGOZPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4/c16-9-11-10-18(7-8-23-11)12(20)3-6-19-13(21)15(17-14(19)22)4-1-2-5-15/h11H,1-10H2,(H,17,22).
What are the key properties of 3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 327.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 136547627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).