1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C21H23ClN2O3 — CID 38453677

IUPAC1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H23ClN2O3/c1-21(2,16-6-4-3-5-7-16)20(27)24-12-10-23(11-13-24)19(26)15-8-9-18(25)17(22)14-15/h3-9,14,25H,10-13H2,1-2H3
InChIKeyUXXGHHXGAMVMTJ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.31
Rot. Bonds3

About 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 38453677) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID38453677
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H23ClN2O3/c1-21(2,16-6-4-3-5-7-16)20(27)24-12-10-23(11-13-24)19(26)15-8-9-18(25)17(22)14-15/h3-9,14,25H,10-13H2,1-2H3
InChIKeyUXXGHHXGAMVMTJ-UHFFFAOYSA-N
XLogP3.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 38454037
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453800
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453817
(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 33463726
1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 36561721
1-[4-(3,6-dichloropyridine-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564617
2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 38453759
1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30806885
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216506
1-(2-methyl-2-phenylpropanoyl)-4-[4-(sulfinoamino)-3-(trifluoromethoxy)benzoyl]piperazine
CID 149422701
1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564526

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 38453677) is 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is UXXGHHXGAMVMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-21(2,16-6-4-3-5-7-16)20(27)24-12-10-23(11-13-24)19(26)15-8-9-18(25)17(22)14-15/h3-9,14,25H,10-13H2,1-2H3.
What are the key properties of 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 386.88 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 38453677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).