1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one

C22H26N2O3 — CID 110800125

IUPAC1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-2-6-21(25)23-13-15-24(16-14-23)22(26)17-18-9-11-20(12-10-18)27-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3
InChIKeyJHDVAQLTHONVIN-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.49
Rot. Bonds6

About 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one

1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one (PubChem CID 110800125) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
PubChem CID110800125
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-2-6-21(25)23-13-15-24(16-14-23)22(26)17-18-9-11-20(12-10-18)27-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3
InChIKeyJHDVAQLTHONVIN-UHFFFAOYSA-N
XLogP3.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110799885
1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
CID 110768049
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
methyl 4-[2-(4-phenoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808860
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one (CID 110800125) is 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one?
The InChIKey is JHDVAQLTHONVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-6-21(25)23-13-15-24(16-14-23)22(26)17-18-9-11-20(12-10-18)27-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3.
What are the key properties of 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one?
1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one has a molecular weight of 366.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110800125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).