[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C20H27FN2O2 — CID 71931782

IUPAC[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1c1cccc(F)c1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C20H27FN2O2/c21-16-5-3-4-15(12-16)18-13-19(18)20(24)23-7-2-1-6-17(23)14-22-8-10-25-11-9-22/h3-5,12,17-19H,1-2,6-11,13-14H2
InChIKeyUPSWDLDXKNWPOF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.64
Rot. Bonds4

About [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 71931782) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID71931782
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1c1cccc(F)c1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C20H27FN2O2/c21-16-5-3-4-15(12-16)18-13-19(18)20(24)23-7-2-1-6-17(23)14-22-8-10-25-11-9-22/h3-5,12,17-19H,1-2,6-11,13-14H2
InChIKeyUPSWDLDXKNWPOF-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602840
2-[(2S)-1-[(1R,2R)-2-(3-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]acetamide
CID 124786387
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609165
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129380793
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95339200
[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603407
(6-fluoroquinolin-3-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 166186679
[(1R,2R)-2-(3-methylphenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95346973
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 124736187
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
[(3R,3aS,9aR)-3-(3-fluorophenyl)-1-methyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-4-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
CID 92583514

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 71931782) is [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is O=C(C1CC1c1cccc(F)c1)N1CCCCC1CN1CCOCC1.
What is the InChIKey of [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is UPSWDLDXKNWPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-16-5-3-4-15(12-16)18-13-19(18)20(24)23-7-2-1-6-17(23)14-22-8-10-25-11-9-22/h3-5,12,17-19H,1-2,6-11,13-14H2.
What are the key properties of [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 346.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71931782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).