ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate

C17H24N2O4 — CID 10781955

IUPACethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCCN1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-2-23-16(21)4-3-9-18-10-12-19(13-11-18)17(22)14-5-7-15(20)8-6-14/h5-8,20H,2-4,9-13H2,1H3
InChIKeyRUXWMOMKZPHFRW-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.49
Rot. Bonds6

About ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate

ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate (PubChem CID 10781955) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate
PubChem CID10781955
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCCN1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-2-23-16(21)4-3-9-18-10-12-19(13-11-18)17(22)14-5-7-15(20)8-6-14/h5-8,20H,2-4,9-13H2,1H3
InChIKeyRUXWMOMKZPHFRW-UHFFFAOYSA-N
XLogP1.49
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate?
The IUPAC name of ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate (CID 10781955) is ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate is CCOC(=O)CCCN1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate?
The InChIKey is RUXWMOMKZPHFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-23-16(21)4-3-9-18-10-12-19(13-11-18)17(22)14-5-7-15(20)8-6-14/h5-8,20H,2-4,9-13H2,1H3.
What are the key properties of ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate?
ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate has a molecular weight of 320.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate is sourced from PubChem (CID 10781955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).