2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one

C24H30N2O4 — CID 2852913

IUPAC2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one
SMILESCCC(Oc1ccccc1)C(=O)N1CCN(C(=O)C(CC)Oc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-3-21(29-19-11-7-5-8-12-19)23(27)25-15-17-26(18-16-25)24(28)22(4-2)30-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3
InChIKeyGJMLEJZZAOGDTO-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.37
Rot. Bonds8

About 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one

2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one (PubChem CID 2852913) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one
PubChem CID2852913
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one
SMILESCCC(Oc1ccccc1)C(=O)N1CCN(C(=O)C(CC)Oc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-3-21(29-19-11-7-5-8-12-19)23(27)25-15-17-26(18-16-25)24(28)22(4-2)30-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3
InChIKeyGJMLEJZZAOGDTO-UHFFFAOYSA-N
XLogP3.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one (CID 2852913) is 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one is CCC(Oc1ccccc1)C(=O)N1CCN(C(=O)C(CC)Oc2ccccc2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one?
The InChIKey is GJMLEJZZAOGDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-21(29-19-11-7-5-8-12-19)23(27)25-15-17-26(18-16-25)24(28)22(4-2)30-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3.
What are the key properties of 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one?
2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one has a molecular weight of 410.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 2852913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).