3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione

C13H21N3O3 — CID 121184056

IUPAC3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C13H21N3O3/c17-12-9-14-13(18)16(12)11-1-5-15(6-2-11)10-3-7-19-8-4-10/h10-11H,1-9H2,(H,14,18)
InChIKeyPVLPUWVXFHBIKP-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.18
Rot. Bonds2

About 3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione

3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121184056) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121184056
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C13H21N3O3/c17-12-9-14-13(18)16(12)11-1-5-15(6-2-11)10-3-7-19-8-4-10/h10-11H,1-9H2,(H,14,18)
InChIKeyPVLPUWVXFHBIKP-UHFFFAOYSA-N
XLogP0.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.18
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-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121184056) is 3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is PVLPUWVXFHBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c17-12-9-14-13(18)16(12)11-1-5-15(6-2-11)10-3-7-19-8-4-10/h10-11H,1-9H2,(H,14,18).
What are the key properties of 3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-4-yl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121184056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).