3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione

C16H21ClN2O2 — CID 64902457

IUPAC3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-10-14(20)18-13(16(2,3)4)15(21)19(10)9-11-5-7-12(17)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,18,20)
InChIKeyAWDCHFZTKVLCEZ-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.60
Rot. Bonds2

About 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione

3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 64902457) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID64902457
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-10-14(20)18-13(16(2,3)4)15(21)19(10)9-11-5-7-12(17)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,18,20)
InChIKeyAWDCHFZTKVLCEZ-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione
CID 64967667
3-tert-butyl-1-[(4-chlorophenyl)methyl]piperazine-2,5-dione
CID 64880952
3-tert-butyl-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
CID 114702135
3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione
CID 64961654
3-tert-butyl-6-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64900734
3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
CID 64902838
1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione
CID 64874078
3-tert-butyl-6-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627661
1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64872478
3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
CID 64902648
2-[(4-chlorophenyl)methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944263
3-tert-butyl-6-methyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64902646

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione (CID 64902457) is 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione is CC1C(=O)NC(C(C)(C)C)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is AWDCHFZTKVLCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-10-14(20)18-13(16(2,3)4)15(21)19(10)9-11-5-7-12(17)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,18,20).
What are the key properties of 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 308.81 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64902457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).