[4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C20H24FN3O2 — CID 95220708

IUPAC[4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](c2ccn[nH]2)C1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C20H24FN3O2/c21-17-5-3-16(4-6-17)20(8-12-26-13-9-20)19(25)24-11-1-2-15(14-24)18-7-10-22-23-18/h3-7,10,15H,1-2,8-9,11-14H2,(H,22,23)/t15-/m0/s1
InChIKeyXERJCWUWGOMCCS-HNNXBMFYSA-N
MW357.43 g/mol
LogP3.00
Rot. Bonds3

About [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95220708) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95220708
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](c2ccn[nH]2)C1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C20H24FN3O2/c21-17-5-3-16(4-6-17)20(8-12-26-13-9-20)19(25)24-11-1-2-15(14-24)18-7-10-22-23-18/h3-7,10,15H,1-2,8-9,11-14H2,(H,22,23)/t15-/m0/s1
InChIKeyXERJCWUWGOMCCS-HNNXBMFYSA-N
XLogP3.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-phenylethyl)-1-(1H-pyrazol-3-ylmethyl)piperidine-4-carboxylate
CID 16188923
4-[(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16190916
ethyl 4-(3-phenylpropyl)-1-(1H-pyrazol-3-ylmethyl)-4-piperidinecarboxylate
CID 16191119
ethyl 4-(cyclopropylmethyl)-1-{[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxylate
CID 16191209
ethyl 4-benzyl-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate
CID 16192232
ethyl 1-{[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidine-4-carboxylate
CID 16192519
[3-(4-Fluorophenyl)-2,2-dimethylcyclopropyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 145969671
2-[5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 71704793
1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 75461943
6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810565
(3R*,4R*)-3-methyl-1-[4-(1H-pyrazol-3-yl)benzoyl]-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-ol
CID 70776874
1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,3,6-trifluorophenyl)ethanone
CID 26358743

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95220708) is [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(N1CCC[C@H](c2ccn[nH]2)C1)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is XERJCWUWGOMCCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-17-5-3-16(4-6-17)20(8-12-26-13-9-20)19(25)24-11-1-2-15(14-24)18-7-10-22-23-18/h3-7,10,15H,1-2,8-9,11-14H2,(H,22,23)/t15-/m0/s1.
What are the key properties of [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95220708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).