(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone

C20H20FNO3 — CID 124859877

IUPAC(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)C1
InChIInChI=1S/C20H20FNO3/c21-15-7-5-13(6-8-15)19(23)14-3-1-9-22(12-14)20(24)17-11-16(17)18-4-2-10-25-18/h2,4-8,10,14,16-17H,1,3,9,11-12H2/t14-,16-,17+/m1/s1
InChIKeyOKCZWLZNRYDGCM-OIISXLGYSA-N
MW341.38 g/mol
LogP3.64
Rot. Bonds4

About (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone

(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone (PubChem CID 124859877) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone
PubChem CID124859877
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)C1
InChIInChI=1S/C20H20FNO3/c21-15-7-5-13(6-8-15)19(23)14-3-1-9-22(12-14)20(24)17-11-16(17)18-4-2-10-25-18/h2,4-8,10,14,16-17H,1,3,9,11-12H2/t14-,16-,17+/m1/s1
InChIKeyOKCZWLZNRYDGCM-OIISXLGYSA-N
XLogP3.64
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 99845766
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
N-cyclohexyl-1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 75405699
(4-fluorophenyl)-[1-(2-hydroxycyclopentanecarbonyl)piperidin-3-yl]methanone
CID 110014714
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680
[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 95179871
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56820630
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
CID 69455638
[(3S)-1-[(3R)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 100619159

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone (CID 124859877) is (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone is O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone?
The InChIKey is OKCZWLZNRYDGCM-OIISXLGYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-15-7-5-13(6-8-15)19(23)14-3-1-9-22(12-14)20(24)17-11-16(17)18-4-2-10-25-18/h2,4-8,10,14,16-17H,1,3,9,11-12H2/t14-,16-,17+/m1/s1.
What are the key properties of (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone?
(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone has a molecular weight of 341.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 124859877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).