(6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione

C21H22N2O3 — CID 10641598

IUPAC(6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione
SMILESCC(C)/C=C1\C(=O)NC(O)(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-15(2)13-18-19(24)22-21(26,17-11-7-4-8-12-17)20(25)23(18)14-16-9-5-3-6-10-16/h3-13,15,26H,14H2,1-2H3,(H,22,24)/b18-13+
InChIKeyDSZXXFKXKWYWHS-QGOAFFKASA-N
MW350.42 g/mol
LogP2.53
Rot. Bonds4

About (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione

(6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione (PubChem CID 10641598) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name(6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione
PubChem CID10641598
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione
SMILESCC(C)/C=C1\C(=O)NC(O)(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-15(2)13-18-19(24)22-21(26,17-11-7-4-8-12-17)20(25)23(18)14-16-9-5-3-6-10-16/h3-13,15,26H,14H2,1-2H3,(H,22,24)/b18-13+
InChIKeyDSZXXFKXKWYWHS-QGOAFFKASA-N
XLogP2.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6E)-1-benzyl-6-benzylidene-3-methoxy-3-phenylpiperazine-2,5-dione
CID 10620878
(3E)-1-acetyl-4-benzyl-3-(2-methylpropylidene)piperazine-2,5-dione
CID 15914220
3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
3-benzyl-5,5-diethylimidazolidine-2,4-dione
CID 7181081
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
3-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 18165746
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
(3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one
CID 101480970
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779

Frequently Asked Questions

What is the IUPAC name of (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione?
The IUPAC name of (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione (CID 10641598) is (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione?
The canonical SMILES for (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione is CC(C)/C=C1\C(=O)NC(O)(c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione?
The InChIKey is DSZXXFKXKWYWHS-QGOAFFKASA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(2)13-18-19(24)22-21(26,17-11-7-4-8-12-17)20(25)23(18)14-16-9-5-3-6-10-16/h3-13,15,26H,14H2,1-2H3,(H,22,24)/b18-13+.
What are the key properties of (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione?
(6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione has a molecular weight of 350.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1-benzyl-3-hydroxy-6-(2-methylpropylidene)-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 10641598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).