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

C21H28N2O2 — CID 4608935

IUPAC1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2C2CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-15-8-10-16(11-9-15)20-21(25)22(17-6-4-2-3-5-7-17)14-19(24)23(20)18-12-13-18/h8-11,17-18,20H,2-7,12-14H2,1H3
InChIKeyHIKITNDMZABVLC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.59
Rot. Bonds3

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

1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione (PubChem CID 4608935) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
PubChem CID4608935
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2C2CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-15-8-10-16(11-9-15)20-21(25)22(17-6-4-2-3-5-7-17)14-19(24)23(20)18-12-13-18/h8-11,17-18,20H,2-7,12-14H2,1H3
InChIKeyHIKITNDMZABVLC-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione (CID 4608935) is 1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione is Cc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2C2CC2)cc1.
What is the InChIKey of 1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
The InChIKey is HIKITNDMZABVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-8-10-16(11-9-15)20-21(25)22(17-6-4-2-3-5-7-17)14-19(24)23(20)18-12-13-18/h8-11,17-18,20H,2-7,12-14H2,1H3.
What are the key properties of 1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione?
1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione has a molecular weight of 340.47 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-cyclopropyl-3-(4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 4608935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).