[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C19H20FN3O — CID 94532811

IUPAC[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H20FN3O/c20-15-3-1-14(2-4-15)17-13-18(17)19(24)23-11-9-22(10-12-23)16-5-7-21-8-6-16/h1-8,17-18H,9-13H2/t17-,18+/m1/s1
InChIKeyWWSBWYYNVHLIBY-MSOLQXFVSA-N
MW325.39 g/mol
LogP2.67
Rot. Bonds3

About [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 94532811) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID94532811
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H20FN3O/c20-15-3-1-14(2-4-15)17-13-18(17)19(24)23-11-9-22(10-12-23)16-5-7-21-8-6-16/h1-8,17-18H,9-13H2/t17-,18+/m1/s1
InChIKeyWWSBWYYNVHLIBY-MSOLQXFVSA-N
XLogP2.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 94532765
[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 18613656
(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 174960082
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95588176
1-[3-fluoro-4-[4-[2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 51292338
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168140
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 159187569
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 146120407
[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429835
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 51292018

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 94532811) is [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is WWSBWYYNVHLIBY-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-15-3-1-14(2-4-15)17-13-18(17)19(24)23-11-9-22(10-12-23)16-5-7-21-8-6-16/h1-8,17-18H,9-13H2/t17-,18+/m1/s1.
What are the key properties of [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 325.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 94532811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).