(3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione

C19H26N2O2 — CID 165428608

IUPAC(3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione
SMILESCC(C)=CCCN1C(=O)CN(CCc2ccccc2)C(=O)[C@@H]1C
InChIInChI=1S/C19H26N2O2/c1-15(2)8-7-12-21-16(3)19(23)20(14-18(21)22)13-11-17-9-5-4-6-10-17/h4-6,8-10,16H,7,11-14H2,1-3H3/t16-/m0/s1
InChIKeyMBIHMGFHSDHGPU-INIZCTEOSA-N
MW314.43 g/mol
LogP2.64
Rot. Bonds6

About (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione

(3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione (PubChem CID 165428608) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione
PubChem CID165428608
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione
SMILESCC(C)=CCCN1C(=O)CN(CCc2ccccc2)C(=O)[C@@H]1C
InChIInChI=1S/C19H26N2O2/c1-15(2)8-7-12-21-16(3)19(23)20(14-18(21)22)13-11-17-9-5-4-6-10-17/h4-6,8-10,16H,7,11-14H2,1-3H3/t16-/m0/s1
InChIKeyMBIHMGFHSDHGPU-INIZCTEOSA-N
XLogP2.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165425719
(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 164689037
(3S)-3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-phenylethyl)piperazine-2,5-dione
CID 165421262
(3S)-4-[(2-fluoro-3-methylphenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165423143
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165418043
(3R)-4-(1,4-dioxepan-6-ylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione;formic acid
CID 166600136
(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione;formic acid
CID 166598811
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
CID 164691531
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione?
The IUPAC name of (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione (CID 165428608) is (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione is CC(C)=CCCN1C(=O)CN(CCc2ccccc2)C(=O)[C@@H]1C.
What is the InChIKey of (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione?
The InChIKey is MBIHMGFHSDHGPU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15(2)8-7-12-21-16(3)19(23)20(14-18(21)22)13-11-17-9-5-4-6-10-17/h4-6,8-10,16H,7,11-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione?
(3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione has a molecular weight of 314.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione is sourced from PubChem (CID 165428608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).