1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione

C14H17ClN2O2 — CID 64961548

IUPAC1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(Cl)cc1N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-8(2)13-14(19)17(7-12(18)16-13)11-6-10(15)5-4-9(11)3/h4-6,8,13H,7H2,1-3H3,(H,16,18)
InChIKeyCRRHPVNLXQMNIH-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.14
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione

1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64961548) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64961548
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(Cl)cc1N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-8(2)13-14(19)17(7-12(18)16-13)11-6-10(15)5-4-9(11)3/h4-6,8,13H,7H2,1-3H3,(H,16,18)
InChIKeyCRRHPVNLXQMNIH-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64961548) is 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is Cc1ccc(Cl)cc1N1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is CRRHPVNLXQMNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-8(2)13-14(19)17(7-12(18)16-13)11-6-10(15)5-4-9(11)3/h4-6,8,13H,7H2,1-3H3,(H,16,18).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.75 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64961548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).