[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone

C20H24FN3O — CID 129448843

IUPAC[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1
InChIInChI=1S/C20H24FN3O/c1-2-19-22-9-11-24(19)14-6-5-10-23(13-14)20(25)17-12-16(17)15-7-3-4-8-18(15)21/h3-4,7-9,11,14,16-17H,2,5-6,10,12-13H2,1H3/t14-,16+,17-/m1/s1
InChIKeyFUSUFTDUTMLTCZ-HYVNUMGLSA-N
MW341.43 g/mol
LogP3.55
Rot. Bonds4

About [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone

[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone (PubChem CID 129448843) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
PubChem CID129448843
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1
InChIInChI=1S/C20H24FN3O/c1-2-19-22-9-11-24(19)14-6-5-10-23(13-14)20(25)17-12-16(17)15-7-3-4-8-18(15)21/h3-4,7-9,11,14,16-17H,2,5-6,10,12-13H2,1H3/t14-,16+,17-/m1/s1
InChIKeyFUSUFTDUTMLTCZ-HYVNUMGLSA-N
XLogP3.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone (CID 129448843) is [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone is CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1.
What is the InChIKey of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone?
The InChIKey is FUSUFTDUTMLTCZ-HYVNUMGLSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-2-19-22-9-11-24(19)14-6-5-10-23(13-14)20(25)17-12-16(17)15-7-3-4-8-18(15)21/h3-4,7-9,11,14,16-17H,2,5-6,10,12-13H2,1H3/t14-,16+,17-/m1/s1.
What are the key properties of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone?
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone has a molecular weight of 341.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 129448843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).