[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C15H18Cl2N2O2 — CID 41024311

IUPAC[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1
InChIInChI=1S/C15H18Cl2N2O2/c1-21-13-5-3-2-4-12(13)18-6-8-19(9-7-18)14(20)11-10-15(11,16)17/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyJNESEODCAJKKEL-LLVKDONJSA-N
MW329.23 g/mol
LogP2.54
Rot. Bonds3

About [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 41024311) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID41024311
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1
InChIInChI=1S/C15H18Cl2N2O2/c1-21-13-5-3-2-4-12(13)18-6-8-19(9-7-18)14(20)11-10-15(11,16)17/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyJNESEODCAJKKEL-LLVKDONJSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 125118026
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
CID 51894203
[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51271912
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 41024311) is [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1.
What is the InChIKey of [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is JNESEODCAJKKEL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-21-13-5-3-2-4-12(13)18-6-8-19(9-7-18)14(20)11-10-15(11,16)17/h2-5,11H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 329.23 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 41024311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).