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

C21H30N2O3 — CID 4536931

IUPAC4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
SMILESCCC(C)N1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC)cc1
InChIInChI=1S/C21H30N2O3/c1-4-15(2)23-19(24)14-22(17-8-6-5-7-9-17)21(25)20(23)16-10-12-18(26-3)13-11-16/h10-13,15,17,20H,4-9,14H2,1-3H3
InChIKeyOBDUDDSVCMHGPU-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.54
Rot. Bonds5

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

4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione (PubChem CID 4536931) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
PubChem CID4536931
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
SMILESCCC(C)N1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC)cc1
InChIInChI=1S/C21H30N2O3/c1-4-15(2)23-19(24)14-22(17-8-6-5-7-9-17)21(25)20(23)16-10-12-18(26-3)13-11-16/h10-13,15,17,20H,4-9,14H2,1-3H3
InChIKeyOBDUDDSVCMHGPU-UHFFFAOYSA-N
XLogP3.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
The IUPAC name of 4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione (CID 4536931) is 4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione is CCC(C)N1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC)cc1.
What is the InChIKey of 4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
The InChIKey is OBDUDDSVCMHGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-4-15(2)23-19(24)14-22(17-8-6-5-7-9-17)21(25)20(23)16-10-12-18(26-3)13-11-16/h10-13,15,17,20H,4-9,14H2,1-3H3.
What are the key properties of 4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione has a molecular weight of 358.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 4536931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).