2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone

C23H28N2O4 — CID 108535883

IUPAC2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-6-19-9-11-21(12-10-19)29-18-23(27)25-15-13-24(14-16-25)22(26)17-28-20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-18H2,1H3
InChIKeyCRVQNPNDZUOHIZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.77
Rot. Bonds8

About 2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone

2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone (PubChem CID 108535883) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
PubChem CID108535883
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-6-19-9-11-21(12-10-19)29-18-23(27)25-15-13-24(14-16-25)22(26)17-28-20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-18H2,1H3
InChIKeyCRVQNPNDZUOHIZ-UHFFFAOYSA-N
XLogP2.77
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546674
methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568845
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535804
1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535864
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535113
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108533580
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535906
3-chloro-2,2-dimethyl-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108568838
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108534117
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone (CID 108535883) is 2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone is CCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of 2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone?
The InChIKey is CRVQNPNDZUOHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-6-19-9-11-21(12-10-19)29-18-23(27)25-15-13-24(14-16-25)22(26)17-28-20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-18H2,1H3.
What are the key properties of 2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone?
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone has a molecular weight of 396.49 g/mol, XLogP of 2.77, 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-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 108535883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).