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

C23H34N2O3 — CID 20967663

IUPAC1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCCOCCCN1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccc(C)cc1
InChIInChI=1S/C23H34N2O3/c1-3-28-16-8-15-24-21(26)17-25(20-9-6-4-5-7-10-20)23(27)22(24)19-13-11-18(2)12-14-19/h11-14,20,22H,3-10,15-17H2,1-2H3
InChIKeyOMRFANBWUCNVSU-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.86
Rot. Bonds7

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

1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione (PubChem CID 20967663) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione
PubChem CID20967663
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCCOCCCN1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccc(C)cc1
InChIInChI=1S/C23H34N2O3/c1-3-28-16-8-15-24-21(26)17-25(20-9-6-4-5-7-10-20)23(27)22(24)19-13-11-18(2)12-14-19/h11-14,20,22H,3-10,15-17H2,1-2H3
InChIKeyOMRFANBWUCNVSU-UHFFFAOYSA-N
XLogP3.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione (CID 20967663) is 1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione is CCOCCCN1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccc(C)cc1.
What is the InChIKey of 1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione?
The InChIKey is OMRFANBWUCNVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-3-28-16-8-15-24-21(26)17-25(20-9-6-4-5-7-10-20)23(27)22(24)19-13-11-18(2)12-14-19/h11-14,20,22H,3-10,15-17H2,1-2H3.
What are the key properties of 1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione?
1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione has a molecular weight of 386.54 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(3-ethoxypropyl)-3-(4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 20967663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).