(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one

C16H18Cl2N2O2 — CID 93322023

IUPAC(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)C1CCC1
InChIInChI=1S/C16H18Cl2N2O2/c1-10-15(21)20(14-6-5-12(17)9-13(14)18)8-7-19(10)16(22)11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyBQAYPMZJHYNPSK-SNVBAGLBSA-N
MW341.24 g/mol
LogP3.36
Rot. Bonds2

About (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one

(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one (PubChem CID 93322023) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
PubChem CID93322023
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)C1CCC1
InChIInChI=1S/C16H18Cl2N2O2/c1-10-15(21)20(14-6-5-12(17)9-13(14)18)8-7-19(10)16(22)11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyBQAYPMZJHYNPSK-SNVBAGLBSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 24716206
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 93290815
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549
(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
(3R)-1-(2,4-dichlorophenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322651
4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 24716603
4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 24716399
1-(3-bromophenyl)-4-(cyclobutanecarbonyl)-3-methylpiperazin-2-one
CID 46743928
4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
CID 24716134
(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93321458
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one (CID 93322023) is (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one is C[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)C1CCC1.
What is the InChIKey of (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one?
The InChIKey is BQAYPMZJHYNPSK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-10-15(21)20(14-6-5-12(17)9-13(14)18)8-7-19(10)16(22)11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one?
(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one has a molecular weight of 341.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93322023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).