2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one

C22H26N2O4 — CID 4940211

IUPAC2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(C(=O)C(C)Oc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-17(27-19-9-5-3-6-10-19)21(25)23-13-15-24(16-14-23)22(26)18(2)28-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3
InChIKeyNCDDRAFMFSXOFI-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.59
Rot. Bonds6

About 2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one

2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one (PubChem CID 4940211) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one
PubChem CID4940211
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(C(=O)C(C)Oc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-17(27-19-9-5-3-6-10-19)21(25)23-13-15-24(16-14-23)22(26)18(2)28-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3
InChIKeyNCDDRAFMFSXOFI-UHFFFAOYSA-N
XLogP2.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.59
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-phenoxypropanoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one (CID 4940211) is 2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one is CC(Oc1ccccc1)C(=O)N1CCN(C(=O)C(C)Oc2ccccc2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one?
The InChIKey is NCDDRAFMFSXOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-17(27-19-9-5-3-6-10-19)21(25)23-13-15-24(16-14-23)22(26)18(2)28-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of 2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one?
2-phenoxy-1-[4-(2-phenoxypropanoyl)piperazin-1-yl]propan-1-one has a molecular weight of 382.46 g/mol, XLogP of 2.59, 6 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-phenoxypropanoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4940211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).