1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione

C26H32N2O2 — CID 5156578

IUPAC1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C26H32N2O2/c1-20-13-15-22(16-14-20)25-26(30)28(23-11-7-2-3-8-12-23)19-24(29)27(25)18-17-21-9-5-4-6-10-21/h4-6,9-10,13-16,23,25H,2-3,7-8,11-12,17-19H2,1H3
InChIKeyNIGRUJFXPOMEOF-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.67
Rot. Bonds5

About 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione

1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione (PubChem CID 5156578) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione
PubChem CID5156578
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C26H32N2O2/c1-20-13-15-22(16-14-20)25-26(30)28(23-11-7-2-3-8-12-23)19-24(29)27(25)18-17-21-9-5-4-6-10-21/h4-6,9-10,13-16,23,25H,2-3,7-8,11-12,17-19H2,1H3
InChIKeyNIGRUJFXPOMEOF-UHFFFAOYSA-N
XLogP4.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione (CID 5156578) is 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione is Cc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione?
The InChIKey is NIGRUJFXPOMEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-20-13-15-22(16-14-20)25-26(30)28(23-11-7-2-3-8-12-23)19-24(29)27(25)18-17-21-9-5-4-6-10-21/h4-6,9-10,13-16,23,25H,2-3,7-8,11-12,17-19H2,1H3.
What are the key properties of 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione?
1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione has a molecular weight of 404.55 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione is sourced from PubChem (CID 5156578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).