2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide

C17H25N3O3 — CID 51102307

IUPAC2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCCc1ccc(O)c(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-4-13-5-6-15(21)14(11-13)17(23)20-9-7-19(8-10-20)12-16(22)18(2)3/h5-6,11,21H,4,7-10,12H2,1-3H3
InChIKeyLAYSOSUNLMPCBH-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.80
Rot. Bonds4

About 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 51102307) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID51102307
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCCc1ccc(O)c(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-4-13-5-6-15(21)14(11-13)17(23)20-9-7-19(8-10-20)12-16(22)18(2)3/h5-6,11,21H,4,7-10,12H2,1-3H3
InChIKeyLAYSOSUNLMPCBH-UHFFFAOYSA-N
XLogP0.80
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 51102307) is 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide is CCc1ccc(O)c(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1.
What is the InChIKey of 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is LAYSOSUNLMPCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-13-5-6-15(21)14(11-13)17(23)20-9-7-19(8-10-20)12-16(22)18(2)3/h5-6,11,21H,4,7-10,12H2,1-3H3.
What are the key properties of 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 319.41 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 51102307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).