1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone

C16H18Cl2N2O2 — CID 95620484

IUPAC1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H18Cl2N2O2/c1-10(21)19-5-7-20(8-6-19)16(22)13-9-12(13)11-3-2-4-14(17)15(11)18/h2-4,12-13H,5-9H2,1H3/t12-,13-/m0/s1
InChIKeyCZGGVGHLHVTYID-STQMWFEESA-N
MW341.24 g/mol
LogP2.79
Rot. Bonds2

About 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone

1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 95620484) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID95620484
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H18Cl2N2O2/c1-10(21)19-5-7-20(8-6-19)16(22)13-9-12(13)11-3-2-4-14(17)15(11)18/h2-4,12-13H,5-9H2,1H3/t12-,13-/m0/s1
InChIKeyCZGGVGHLHVTYID-STQMWFEESA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

[(1R,2R)-2-(2,3-dichlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 97315628
[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576628
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 97025073
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,3-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 120814867
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanone
CID 124691738
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093023
[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 99806782
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone
CID 120746803
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 95620484) is 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is CZGGVGHLHVTYID-STQMWFEESA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-10(21)19-5-7-20(8-6-19)16(22)13-9-12(13)11-3-2-4-14(17)15(11)18/h2-4,12-13H,5-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 341.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95620484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).