1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione

C27H32N2O3 — CID 5323308

IUPAC1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione
SMILESCOc1cccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCc3ccccc32)c1
InChIInChI=1S/C27H32N2O3/c1-32-22-14-7-11-20(17-22)26-27(31)28(21-12-3-2-4-13-21)18-25(30)29(26)24-16-8-10-19-9-5-6-15-23(19)24/h5-7,9,11,14-15,17,21,24,26H,2-4,8,10,12-13,16,18H2,1H3
InChIKeyQPMXWLKNJOUEIV-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.82
Rot. Bonds4

About 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione

1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione (PubChem CID 5323308) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione
PubChem CID5323308
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione
SMILESCOc1cccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCc3ccccc32)c1
InChIInChI=1S/C27H32N2O3/c1-32-22-14-7-11-20(17-22)26-27(31)28(21-12-3-2-4-13-21)18-25(30)29(26)24-16-8-10-19-9-5-6-15-23(19)24/h5-7,9,11,14-15,17,21,24,26H,2-4,8,10,12-13,16,18H2,1H3
InChIKeyQPMXWLKNJOUEIV-UHFFFAOYSA-N
XLogP4.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione (CID 5323308) is 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione is COc1cccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCc3ccccc32)c1.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione?
The InChIKey is QPMXWLKNJOUEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-32-22-14-7-11-20(17-22)26-27(31)28(21-12-3-2-4-13-21)18-25(30)29(26)24-16-8-10-19-9-5-6-15-23(19)24/h5-7,9,11,14-15,17,21,24,26H,2-4,8,10,12-13,16,18H2,1H3.
What are the key properties of 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione?
1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione has a molecular weight of 432.56 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2,5-dione is sourced from PubChem (CID 5323308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).