(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione

C21H24N2O2 — CID 165420358

IUPAC(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccccc2-c2ccccc2)[C@H](C)C1=O
InChIInChI=1S/C21H24N2O2/c1-3-13-22-15-20(24)23(16(2)21(22)25)14-18-11-7-8-12-19(18)17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3/t16-/m1/s1
InChIKeySYNBPIDQYMUSJD-MRXNPFEDSA-N
MW336.44 g/mol
LogP3.32
Rot. Bonds5

About (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione

(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione (PubChem CID 165420358) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
PubChem CID165420358
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccccc2-c2ccccc2)[C@H](C)C1=O
InChIInChI=1S/C21H24N2O2/c1-3-13-22-15-20(24)23(16(2)21(22)25)14-18-11-7-8-12-19(18)17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3/t16-/m1/s1
InChIKeySYNBPIDQYMUSJD-MRXNPFEDSA-N
XLogP3.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1-propylpiperazine-2,5-dione
CID 165417469
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
(3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165422583
(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
CID 165421687
(3S)-4-[(2-fluoro-3-methylphenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165423143
(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165420754
(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165424201
3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione
CID 130265212
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3S)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione;formic acid
CID 166599363
(3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
CID 165420005
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione?
The IUPAC name of (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione (CID 165420358) is (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2ccccc2-c2ccccc2)[C@H](C)C1=O.
What is the InChIKey of (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione?
The InChIKey is SYNBPIDQYMUSJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-13-22-15-20(24)23(16(2)21(22)25)14-18-11-7-8-12-19(18)17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione?
(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione has a molecular weight of 336.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 165420358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).