1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione

C15H19ClN2O2 — CID 106870436

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
SMILESCc1ccc(CN2C(=O)C(C)(C)NC(=O)C2C)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-9-5-6-11(12(16)7-9)8-18-10(2)13(19)17-15(3,4)14(18)20/h5-7,10H,8H2,1-4H3,(H,17,19)
InChIKeyCZSFZVVOHOJUIL-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.27
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione

1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 106870436) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID106870436
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
SMILESCc1ccc(CN2C(=O)C(C)(C)NC(=O)C2C)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-9-5-6-11(12(16)7-9)8-18-10(2)13(19)17-15(3,4)14(18)20/h5-7,10H,8H2,1-4H3,(H,17,19)
InChIKeyCZSFZVVOHOJUIL-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64873808
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 102879740
3,3,6-trimethyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64872640
1-[(4-bromothiophen-2-yl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64875367
3,3-diethyl-6-methyl-1-[(4-methylphenyl)methyl]piperazine-2,5-dione
CID 64887112
8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886488
1-(4-bromo-2-chlorophenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64963404
3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 105375790
1-(2-methoxy-5-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64956788
1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64873082
3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897
3,3,6-trimethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619336

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione (CID 106870436) is 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione is Cc1ccc(CN2C(=O)C(C)(C)NC(=O)C2C)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is CZSFZVVOHOJUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-9-5-6-11(12(16)7-9)8-18-10(2)13(19)17-15(3,4)14(18)20/h5-7,10H,8H2,1-4H3,(H,17,19).
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 294.78 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 106870436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).