(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

C17H22N4O3 — CID 124589328

IUPAC(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C[C@@H](C)N1
InChIInChI=1S/C17H22N4O3/c1-10-8-21(9-11(2)18-10)14(22)12-4-6-13(7-5-12)17(3)15(23)19-16(24)20-17/h4-7,10-11,18H,8-9H2,1-3H3,(H2,19,20,23,24)/t10-,11-,17-/m1/s1
InChIKeyVKQAFAHKELUVTI-CZIZLABSSA-N
MW330.39 g/mol
LogP0.56
Rot. Bonds2

About (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 124589328) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID124589328
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C[C@@H](C)N1
InChIInChI=1S/C17H22N4O3/c1-10-8-21(9-11(2)18-10)14(22)12-4-6-13(7-5-12)17(3)15(23)19-16(24)20-17/h4-7,10-11,18H,8-9H2,1-3H3,(H2,19,20,23,24)/t10-,11-,17-/m1/s1
InChIKeyVKQAFAHKELUVTI-CZIZLABSSA-N
XLogP0.56
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
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 (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 124589328) is (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C[C@@H](C)N1.
What is the InChIKey of (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is VKQAFAHKELUVTI-CZIZLABSSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-8-21(9-11(2)18-10)14(22)12-4-6-13(7-5-12)17(3)15(23)19-16(24)20-17/h4-7,10-11,18H,8-9H2,1-3H3,(H2,19,20,23,24)/t10-,11-,17-/m1/s1.
What are the key properties of (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 124589328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).