[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone

C21H19F3N2O2 — CID 51896883

IUPAC[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C21H19F3N2O2/c22-14-6-4-13(5-7-14)15-12-16(15)20(27)25-8-10-26(11-9-25)21(28)19-17(23)2-1-3-18(19)24/h1-7,15-16H,8-12H2/t15-,16+/m0/s1
InChIKeyOBXFNXWFANUTBV-JKSUJKDBSA-N
MW388.39 g/mol
LogP3.19
Rot. Bonds3

About [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 51896883) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID51896883
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C21H19F3N2O2/c22-14-6-4-13(5-7-14)15-12-16(15)20(27)25-8-10-26(11-9-25)21(28)19-17(23)2-1-3-18(19)24/h1-7,15-16H,8-12H2/t15-,16+/m0/s1
InChIKeyOBXFNXWFANUTBV-JKSUJKDBSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

2-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182884
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 51896857
1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
CID 97077904
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896892
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98774935
(E)-1-[4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 51897927
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-chlorophenyl)cyclopropyl]methanone
CID 19329378
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 78850288

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone (CID 51896883) is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone is O=C(c1c(F)cccc1F)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is OBXFNXWFANUTBV-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-14-6-4-13(5-7-14)15-12-16(15)20(27)25-8-10-26(11-9-25)21(28)19-17(23)2-1-3-18(19)24/h1-7,15-16H,8-12H2/t15-,16+/m0/s1.
What are the key properties of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 388.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 51896883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).