4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one

C23H28N2O4 — CID 108536243

IUPAC4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c26-22(12-7-18-28-20-8-3-1-4-9-20)24-14-16-25(17-15-24)23(27)13-19-29-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2
InChIKeyIQASXEWPOWLRSU-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.99
Rot. Bonds9

About 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one

4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one (PubChem CID 108536243) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
PubChem CID108536243
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c26-22(12-7-18-28-20-8-3-1-4-9-20)24-14-16-25(17-15-24)23(27)13-19-29-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2
InChIKeyIQASXEWPOWLRSU-UHFFFAOYSA-N
XLogP2.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
3-methyl-1-[4-(4-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 110800810
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110365468
2-chloroethyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate
CID 108569116
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 55345739
1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536249

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one (CID 108536243) is 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one is O=C(CCCOc1ccccc1)N1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one?
The InChIKey is IQASXEWPOWLRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-22(12-7-18-28-20-8-3-1-4-9-20)24-14-16-25(17-15-24)23(27)13-19-29-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2.
What are the key properties of 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one?
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one has a molecular weight of 396.49 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 108536243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).