3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C16H20N4O3 — CID 124988091

IUPAC3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H20N4O3/c1-18-7-8-19(10-13(18)12-5-3-2-4-6-12)15(22)11-20-14(21)9-17-16(20)23/h2-6,13H,7-11H2,1H3,(H,17,23)/t13-/m1/s1
InChIKeyOKNLSVWPOPRZIU-CYBMUJFWSA-N
MW316.36 g/mol
LogP0.05
Rot. Bonds3

About 3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 124988091) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID124988091
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H20N4O3/c1-18-7-8-19(10-13(18)12-5-3-2-4-6-12)15(22)11-20-14(21)9-17-16(20)23/h2-6,13H,7-11H2,1H3,(H,17,23)/t13-/m1/s1
InChIKeyOKNLSVWPOPRZIU-CYBMUJFWSA-N
XLogP0.05
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.05
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-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 124988091) is 3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is CN1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1c1ccccc1.
What is the InChIKey of 3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is OKNLSVWPOPRZIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-18-7-8-19(10-13(18)12-5-3-2-4-6-12)15(22)11-20-14(21)9-17-16(20)23/h2-6,13H,7-11H2,1H3,(H,17,23)/t13-/m1/s1.
What are the key properties of 3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124988091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).