(3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one

C17H23ClN2O3 — CID 93323367

IUPAC(3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)CC(C)C)[C@H](C)C1=O
InChIInChI=1S/C17H23ClN2O3/c1-11(2)9-16(21)19-7-8-20(17(22)12(19)3)14-10-13(18)5-6-15(14)23-4/h5-6,10-12H,7-9H2,1-4H3/t12-/m1/s1
InChIKeyUCKQNJWLYOAOCV-GFCCVEGCSA-N
MW338.84 g/mol
LogP2.96
Rot. Bonds4

About (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one

(3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (PubChem CID 93323367) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
PubChem CID93323367
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name(3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)CC(C)C)[C@H](C)C1=O
InChIInChI=1S/C17H23ClN2O3/c1-11(2)9-16(21)19-7-8-20(17(22)12(19)3)14-10-13(18)5-6-15(14)23-4/h5-6,10-12H,7-9H2,1-4H3/t12-/m1/s1
InChIKeyUCKQNJWLYOAOCV-GFCCVEGCSA-N
XLogP2.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 93322109
1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24715908
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one
CID 46036409
1-(2,4-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716164
(3R)-4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93323379
(3S)-4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322966
4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 46036434
(3S)-1-(5-chloro-2-methylphenyl)-4-(3,3-dimethylbutanoyl)-3-methylpiperazin-2-one
CID 93292612
1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716601
1-(5-chloro-2-methylphenyl)-4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one
CID 46036357
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 93322917
4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 24715930

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (CID 93323367) is (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The canonical SMILES for (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one is COc1ccc(Cl)cc1N1CCN(C(=O)CC(C)C)[C@H](C)C1=O.
What is the InChIKey of (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The InChIKey is UCKQNJWLYOAOCV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11(2)9-16(21)19-7-8-20(17(22)12(19)3)14-10-13(18)5-6-15(14)23-4/h5-6,10-12H,7-9H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
(3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one has a molecular weight of 338.84 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one is sourced from PubChem (CID 93323367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).