1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione

C23H34N2O4 — CID 20967627

IUPAC1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C23H34N2O4/c1-5-13-24-21(26)15-25(18-9-7-6-8-10-18)23(27)22(24)17-11-12-19(29-16(2)3)20(14-17)28-4/h11-12,14,16,18,22H,5-10,13,15H2,1-4H3
InChIKeyRIXQKQBOIAJMKT-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.94
Rot. Bonds7

About 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione

1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione (PubChem CID 20967627) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione
PubChem CID20967627
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C23H34N2O4/c1-5-13-24-21(26)15-25(18-9-7-6-8-10-18)23(27)22(24)17-11-12-19(29-16(2)3)20(14-17)28-4/h11-12,14,16,18,22H,5-10,13,15H2,1-4H3
InChIKeyRIXQKQBOIAJMKT-UHFFFAOYSA-N
XLogP3.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione (CID 20967627) is 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione is CCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione?
The InChIKey is RIXQKQBOIAJMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-5-13-24-21(26)15-25(18-9-7-6-8-10-18)23(27)22(24)17-11-12-19(29-16(2)3)20(14-17)28-4/h11-12,14,16,18,22H,5-10,13,15H2,1-4H3.
What are the key properties of 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione?
1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione has a molecular weight of 402.54 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 20967627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).