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

C22H25ClN2O3 — CID 108534117

IUPAC1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H25ClN2O3/c1-2-3-17-4-10-20(11-5-17)28-16-21(26)24-12-14-25(15-13-24)22(27)18-6-8-19(23)9-7-18/h4-11H,2-3,12-16H2,1H3
InChIKeySABXGGRBLDDBPW-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.66
Rot. Bonds6

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

1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone (PubChem CID 108534117) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
PubChem CID108534117
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H25ClN2O3/c1-2-3-17-4-10-20(11-5-17)28-16-21(26)24-12-14-25(15-13-24)22(27)18-6-8-19(23)9-7-18/h4-11H,2-3,12-16H2,1H3
InChIKeySABXGGRBLDDBPW-UHFFFAOYSA-N
XLogP3.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone with MolForge

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Related Compounds

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-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-(4-propylphenoxy)ethanone
CID 108544009
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535900
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535906
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
2-(4-chlorophenoxy)-1-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 55862457
methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568845
2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 55573955
2-(4-chlorophenoxy)-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]ethanone
CID 108534860
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535804
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
The IUPAC name of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone (CID 108534117) is 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
The canonical SMILES for 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone is CCCc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
The InChIKey is SABXGGRBLDDBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-2-3-17-4-10-20(11-5-17)28-16-21(26)24-12-14-25(15-13-24)22(27)18-6-8-19(23)9-7-18/h4-11H,2-3,12-16H2,1H3.
What are the key properties of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone has a molecular weight of 400.91 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone is sourced from PubChem (CID 108534117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).