5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione

C14H22F3N3O2 — CID 95575935

IUPAC5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN2CCC[C@H](C(F)(F)F)C2)C1=O
InChIInChI=1S/C14H22F3N3O2/c1-13(2)11(21)20(12(22)18-13)8-4-7-19-6-3-5-10(9-19)14(15,16)17/h10H,3-9H2,1-2H3,(H,18,22)/t10-/m0/s1
InChIKeyCETFJGXAPMZJRN-JTQLQIEISA-N
MW321.34 g/mol
LogP1.98
Rot. Bonds4

About 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 95575935) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID95575935
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN2CCC[C@H](C(F)(F)F)C2)C1=O
InChIInChI=1S/C14H22F3N3O2/c1-13(2)11(21)20(12(22)18-13)8-4-7-19-6-3-5-10(9-19)14(15,16)17/h10H,3-9H2,1-2H3,(H,18,22)/t10-/m0/s1
InChIKeyCETFJGXAPMZJRN-JTQLQIEISA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.98
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 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione (CID 95575935) is 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCN2CCC[C@H](C(F)(F)F)C2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is CETFJGXAPMZJRN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-13(2)11(21)20(12(22)18-13)8-4-7-19-6-3-5-10(9-19)14(15,16)17/h10H,3-9H2,1-2H3,(H,18,22)/t10-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 321.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95575935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).