3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione

C15H24N4O3 — CID 164631824

IUPAC3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESC=CCN1C[C@H](C)N(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C
InChIInChI=1S/C15H24N4O3/c1-5-6-17-7-12(3)18(8-11(17)2)14(21)10-19-13(20)9-16(4)15(19)22/h5,11-12H,1,6-10H2,2-4H3/t11-,12-/m0/s1
InChIKeyPUJLFDMWIJZFLH-RYUDHWBXSA-N
MW308.38 g/mol
LogP-0.01
Rot. Bonds4

About 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione

3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 164631824) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
PubChem CID164631824
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESC=CCN1C[C@H](C)N(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C
InChIInChI=1S/C15H24N4O3/c1-5-6-17-7-12(3)18(8-11(17)2)14(21)10-19-13(20)9-16(4)15(19)22/h5,11-12H,1,6-10H2,2-4H3/t11-,12-/m0/s1
InChIKeyPUJLFDMWIJZFLH-RYUDHWBXSA-N
XLogP-0.01
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione (CID 164631824) is 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione is C=CCN1C[C@H](C)N(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C.
What is the InChIKey of 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is PUJLFDMWIJZFLH-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-5-6-17-7-12(3)18(8-11(17)2)14(21)10-19-13(20)9-16(4)15(19)22/h5,11-12H,1,6-10H2,2-4H3/t11-,12-/m0/s1.
What are the key properties of 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 308.38 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 164631824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).