[4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone

C17H25N3O2 — CID 977118

IUPAC[4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-15-3-5-16(6-4-15)18-7-9-19(10-8-18)17(21)20-11-13-22-14-12-20/h3-6H,2,7-14H2,1H3
InChIKeyWYXCONYISJOAMT-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.82
Rot. Bonds2

About [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 977118) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID977118
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-15-3-5-16(6-4-15)18-7-9-19(10-8-18)17(21)20-11-13-22-14-12-20/h3-6H,2,7-14H2,1H3
InChIKeyWYXCONYISJOAMT-UHFFFAOYSA-N
XLogP1.82
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 977118) is [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone is CCc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is WYXCONYISJOAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-15-3-5-16(6-4-15)18-7-9-19(10-8-18)17(21)20-11-13-22-14-12-20/h3-6H,2,7-14H2,1H3.
What are the key properties of [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 977118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).