3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione

C16H20N2O2 — CID 64879445

IUPAC3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione
SMILESCc1ccc(C)c(CN2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C16H20N2O2/c1-10-3-4-11(2)13(7-10)8-18-9-14(19)17-15(16(18)20)12-5-6-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyMNVIPKXSFNSQSU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.54
Rot. Bonds3

About 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione

3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64879445) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione
PubChem CID64879445
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione
SMILESCc1ccc(C)c(CN2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C16H20N2O2/c1-10-3-4-11(2)13(7-10)8-18-9-14(19)17-15(16(18)20)12-5-6-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyMNVIPKXSFNSQSU-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64878987
3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
CID 64973621
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884536
(5R)-5-cyclohexyl-3-[(2,5-dimethylphenyl)methyl]imidazolidine-2,4-dione
CID 2662586
1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
CID 64879430
1-[(2-chloro-4-methylphenyl)methyl]-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 106870478
1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
CID 65331613
3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
CID 64879437
3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione
CID 64970023
3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 82744928
3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 64879252
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione (CID 64879445) is 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione is Cc1ccc(C)c(CN2CC(=O)NC(C3CC3)C2=O)c1.
What is the InChIKey of 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is MNVIPKXSFNSQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-3-4-11(2)13(7-10)8-18-9-14(19)17-15(16(18)20)12-5-6-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64879445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).