3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

C17H24N2O2 — CID 64900825

IUPAC3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccccc1CN1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C17H24N2O2/c1-11(2)14-15(20)18-17(4,5)16(21)19(14)10-13-9-7-6-8-12(13)3/h6-9,11,14H,10H2,1-5H3,(H,18,20)
InChIKeyKJKVXUYTHATPEU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds3

About 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64900825) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64900825
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccccc1CN1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C17H24N2O2/c1-11(2)14-15(20)18-17(4,5)16(21)19(14)10-13-9-7-6-8-12(13)3/h6-9,11,14H,10H2,1-5H3,(H,18,20)
InChIKeyKJKVXUYTHATPEU-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64900825) is 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is Cc1ccccc1CN1C(=O)C(C)(C)NC(=O)C1C(C)C.
What is the InChIKey of 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is KJKVXUYTHATPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)14-15(20)18-17(4,5)16(21)19(14)10-13-9-7-6-8-12(13)3/h6-9,11,14H,10H2,1-5H3,(H,18,20).
What are the key properties of 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64900825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).