[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone

C20H21FN2O2 — CID 72939906

IUPAC[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(Oc2ccncc2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-16-3-1-15(2-4-16)20(9-10-20)19(24)23-13-7-18(8-14-23)25-17-5-11-22-12-6-17/h1-6,11-12,18H,7-10,13-14H2
InChIKeyQUFOUULAVXPYQE-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.32
Rot. Bonds4

About [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone

[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 72939906) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID72939906
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(Oc2ccncc2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-16-3-1-15(2-4-16)20(9-10-20)19(24)23-13-7-18(8-14-23)25-17-5-11-22-12-6-17/h1-6,11-12,18H,7-10,13-14H2
InChIKeyQUFOUULAVXPYQE-UHFFFAOYSA-N
XLogP3.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474
[1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186133
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119664552
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 126889953
[1-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500934
(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583941
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677994
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 134062059
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone (CID 72939906) is [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone is O=C(N1CCC(Oc2ccncc2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is QUFOUULAVXPYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-3-1-15(2-4-16)20(9-10-20)19(24)23-13-7-18(8-14-23)25-17-5-11-22-12-6-17/h1-6,11-12,18H,7-10,13-14H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 340.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 72939906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).