4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one

C16H21ClN2O3 — CID 70718977

IUPAC4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cc(Cl)ccc2O)C(C)C1=O
InChIInChI=1S/C16H21ClN2O3/c1-10(2)9-18-6-7-19(11(3)15(18)21)16(22)13-8-12(17)4-5-14(13)20/h4-5,8,10-11,20H,6-7,9H2,1-3H3
InChIKeyDWXJKILUSOGPAA-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.37
Rot. Bonds3

About 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one

4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 70718977) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID70718977
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cc(Cl)ccc2O)C(C)C1=O
InChIInChI=1S/C16H21ClN2O3/c1-10(2)9-18-6-7-19(11(3)15(18)21)16(22)13-8-12(17)4-5-14(13)20/h4-5,8,10-11,20H,6-7,9H2,1-3H3
InChIKeyDWXJKILUSOGPAA-UHFFFAOYSA-N
XLogP2.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 70716405
4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70706978
4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 91784309
3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one
CID 166226447
4-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70747862
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one
CID 70710666
(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
CID 113284360
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411311
N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 56916075
(2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 126433879
2-[1-(5-chloro-2-hydroxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680916

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 70718977) is 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(C(=O)c2cc(Cl)ccc2O)C(C)C1=O.
What is the InChIKey of 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is DWXJKILUSOGPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-10(2)9-18-6-7-19(11(3)15(18)21)16(22)13-8-12(17)4-5-14(13)20/h4-5,8,10-11,20H,6-7,9H2,1-3H3.
What are the key properties of 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 324.81 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 70718977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).