[(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate

C21H20Cl4N2O3 — CID 95338828

IUPAC[(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate
SMILESC[C@H](CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)OC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H20Cl4N2O3/c1-13(30-21(29)15-5-3-7-17(23)19(15)25)12-26-8-10-27(11-9-26)20(28)14-4-2-6-16(22)18(14)24/h2-7,13H,8-12H2,1H3/t13-/m1/s1
InChIKeySRSDKBNELJUZER-CYBMUJFWSA-N
MW490.21 g/mol
LogP5.30
Rot. Bonds5

About [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate

[(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate (PubChem CID 95338828) has the molecular formula C21H20Cl4N2O3 and a molecular weight of 490.21 g/mol. Its IUPAC name is [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate.

Molecular Properties

Compound Name[(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate
PubChem CID95338828
Molecular FormulaC21H20Cl4N2O3
Molecular Weight490.21 g/mol
Exact Mass488.02
IUPAC Name[(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate
SMILESC[C@H](CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)OC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H20Cl4N2O3/c1-13(30-21(29)15-5-3-7-17(23)19(15)25)12-26-8-10-27(11-9-26)20(28)14-4-2-6-16(22)18(14)24/h2-7,13H,8-12H2,1H3/t13-/m1/s1
InChIKeySRSDKBNELJUZER-CYBMUJFWSA-N
XLogP5.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.21
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate with MolForge

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Related Compounds

[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone
CID 95775773
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119720691
1-piperidin-1-ylpropan-2-yl 2-bromobenzoate
CID 2912544
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
2-[4-(2,3-dichlorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825146
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337
1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 87004663

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate?
The IUPAC name of [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate (CID 95338828) is [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate.
What is the SMILES notation for [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate?
The canonical SMILES for [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate is C[C@H](CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)OC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate?
The InChIKey is SRSDKBNELJUZER-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20Cl4N2O3/c1-13(30-21(29)15-5-3-7-17(23)19(15)25)12-26-8-10-27(11-9-26)20(28)14-4-2-6-16(22)18(14)24/h2-7,13H,8-12H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate?
[(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate has a molecular weight of 490.21 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate is sourced from PubChem (CID 95338828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).