(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione

C17H24N2O3 — CID 165423639

IUPAC(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCOCc2ccccc2)[C@@H](C)C1=O
InChIInChI=1S/C17H24N2O3/c1-3-9-18-12-16(20)19(14(2)17(18)21)10-11-22-13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/t14-/m0/s1
InChIKeyNJQHJVTUPFGAJJ-AWEZNQCLSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds7

About (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione

(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione (PubChem CID 165423639) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
PubChem CID165423639
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCOCc2ccccc2)[C@@H](C)C1=O
InChIInChI=1S/C17H24N2O3/c1-3-9-18-12-16(20)19(14(2)17(18)21)10-11-22-13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/t14-/m0/s1
InChIKeyNJQHJVTUPFGAJJ-AWEZNQCLSA-N
XLogP1.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165418850
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642
(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
CID 165420358
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165424201
(3R)-3-benzyl-1-(2-methoxyethyl)-4-(2-phenylmethoxyethyl)piperazine-2,5-dione;formic acid
CID 166598382
(3R)-3-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1-propylpiperazine-2,5-dione
CID 165417469
(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165425719
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-1-benzyl-4-[2-(2,4-dimethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165425878
(3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
CID 165420005
(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165420754

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione?
The IUPAC name of (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione (CID 165423639) is (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CCOCc2ccccc2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione?
The InChIKey is NJQHJVTUPFGAJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-9-18-12-16(20)19(14(2)17(18)21)10-11-22-13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione?
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione has a molecular weight of 304.39 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 165423639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).