[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C19H25FN2O2 — CID 98774935

IUPAC[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C19H25FN2O2/c20-14-6-4-13(5-7-14)15-12-16(15)19(24)22-10-8-21(9-11-22)17-2-1-3-18(17)23/h4-7,15-18,23H,1-3,8-12H2/t15-,16-,17+,18+/m1/s1
InChIKeyRXNXMCKZVXFNLE-BDXSIMOUSA-N
MW332.42 g/mol
LogP1.99
Rot. Bonds3

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

[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 98774935) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID98774935
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C19H25FN2O2/c20-14-6-4-13(5-7-14)15-12-16(15)19(24)22-10-8-21(9-11-22)17-2-1-3-18(17)23/h4-7,15-18,23H,1-3,8-12H2/t15-,16-,17+,18+/m1/s1
InChIKeyRXNXMCKZVXFNLE-BDXSIMOUSA-N
XLogP1.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98767571
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 124853640
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 95590084
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(1R,5S)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]methanone
CID 129432946
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 95759192
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853798
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853797
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429835
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 98774935) is [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is RXNXMCKZVXFNLE-BDXSIMOUSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-14-6-4-13(5-7-14)15-12-16(15)19(24)22-10-8-21(9-11-22)17-2-1-3-18(17)23/h4-7,15-18,23H,1-3,8-12H2/t15-,16-,17+,18+/m1/s1.
What are the key properties of [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 332.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 98774935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).