2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide

C17H24ClN3O3 — CID 55447068

IUPAC2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C17H24ClN3O3/c1-3-20(4-2)16(23)12-19-7-9-21(10-8-19)17(24)14-11-13(18)5-6-15(14)22/h5-6,11,22H,3-4,7-10,12H2,1-2H3
InChIKeyWACLEZKMNFPGJQ-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide

2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55447068) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55447068
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C17H24ClN3O3/c1-3-20(4-2)16(23)12-19-7-9-21(10-8-19)17(24)14-11-13(18)5-6-15(14)22/h5-6,11,22H,3-4,7-10,12H2,1-2H3
InChIKeyWACLEZKMNFPGJQ-UHFFFAOYSA-N
XLogP1.67
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
N-[5-chloro-2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzamide
CID 24668169
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122991
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-[4-[3-(2,4-dichlorophenyl)propanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642380
(5-chloro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 37015958
(5-chloro-2-hydroxyphenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30953364
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 51283875
(2-bromo-5-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113221419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide (CID 55447068) is 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is WACLEZKMNFPGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-3-20(4-2)16(23)12-19-7-9-21(10-8-19)17(24)14-11-13(18)5-6-15(14)22/h5-6,11,22H,3-4,7-10,12H2,1-2H3.
What are the key properties of 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide?
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 353.85 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55447068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).