[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

C21H22FN5O3 — CID 163339001

IUPAC[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C21H22FN5O3/c22-15-7-5-13(6-8-15)19-17(10-23-25-19)21(28)27-9-1-2-16(11-27)29-12-18-24-20(26-30-18)14-3-4-14/h5-8,10,14,16H,1-4,9,11-12H2,(H,23,25)
InChIKeyKWLDAKAJNLKSBU-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.30
Rot. Bonds6

About [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 163339001) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID163339001
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C21H22FN5O3/c22-15-7-5-13(6-8-15)19-17(10-23-25-19)21(28)27-9-1-2-16(11-27)29-12-18-24-20(26-30-18)14-3-4-14/h5-8,10,14,16H,1-4,9,11-12H2,(H,23,25)
InChIKeyKWLDAKAJNLKSBU-UHFFFAOYSA-N
XLogP3.30
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-ethoxypiperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95584023
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-3-ylmethanone
CID 71687021
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 163338950
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 71687010
cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 163338903
(3R)-N-benzyl-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
CID 95990869
N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51964813
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95990830
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 91918537
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 163339418
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489278
3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
CID 163339762

Frequently Asked Questions

What is the IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (CID 163339001) is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCCC(OCc2nc(C3CC3)no2)C1.
What is the InChIKey of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is KWLDAKAJNLKSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c22-15-7-5-13(6-8-15)19-17(10-23-25-19)21(28)27-9-1-2-16(11-27)29-12-18-24-20(26-30-18)14-3-4-14/h5-8,10,14,16H,1-4,9,11-12H2,(H,23,25).
What are the key properties of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 411.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 163339001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).