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

C13H21N3O2 — CID 121184058

IUPAC3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC(C1CC1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C13H21N3O2/c1-9(10-2-3-10)15-6-4-11(5-7-15)16-12(17)8-14-13(16)18/h9-11H,2-8H2,1H3,(H,14,18)
InChIKeySUVUOMGLGYJMRF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.80
Rot. Bonds3

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

3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121184058) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121184058
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC(C1CC1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C13H21N3O2/c1-9(10-2-3-10)15-6-4-11(5-7-15)16-12(17)8-14-13(16)18/h9-11H,2-8H2,1H3,(H,14,18)
InChIKeySUVUOMGLGYJMRF-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121184058) is 3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione is CC(C1CC1)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is SUVUOMGLGYJMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(10-2-3-10)15-6-4-11(5-7-15)16-12(17)8-14-13(16)18/h9-11H,2-8H2,1H3,(H,14,18).
What are the key properties of 3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121184058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).