(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione

C17H24N2O2 — CID 165420754

IUPAC(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(C)c(C)c2)[C@@H](C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-8-18-11-16(20)19(14(4)17(18)21)10-15-7-6-12(2)13(3)9-15/h6-7,9,14H,5,8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyWSQFALZXJVFPMN-AWEZNQCLSA-N
MW288.39 g/mol
LogP2.27
Rot. Bonds4

About (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione

(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione (PubChem CID 165420754) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
PubChem CID165420754
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(C)c(C)c2)[C@@H](C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-8-18-11-16(20)19(14(4)17(18)21)10-15-7-6-12(2)13(3)9-15/h6-7,9,14H,5,8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyWSQFALZXJVFPMN-AWEZNQCLSA-N
XLogP2.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.27
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
(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165423592
(3S)-4-[(3-chloro-5-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165426838
(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
CID 165421687
3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione
CID 130265212
(3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165422583
(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
CID 165420358
(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione
CID 165422011
(3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165425764
(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 166620028
(3S)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165418780
(3S)-3-methyl-4-[(3-methylphenyl)methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165423646

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The IUPAC name of (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione (CID 165420754) is (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2ccc(C)c(C)c2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The InChIKey is WSQFALZXJVFPMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-8-18-11-16(20)19(14(4)17(18)21)10-15-7-6-12(2)13(3)9-15/h6-7,9,14H,5,8,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 165420754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).