2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide

C23H25FN4O2 — CID 154563710

IUPAC2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[C@@H]1O
InChIInChI=1S/C23H25FN4O2/c24-19-6-1-4-17(12-19)14-23(30)26-21-16-27(11-8-22(21)29)15-18-5-2-7-20(13-18)28-10-3-9-25-28/h1-7,9-10,12-13,21-22,29H,8,11,14-16H2,(H,26,30)/t21-,22+/m1/s1
InChIKeyGFVAKVAZAZQLJT-YADHBBJMSA-N
MW408.48 g/mol
LogP2.31
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide

2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 154563710) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide
PubChem CID154563710
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[C@@H]1O
InChIInChI=1S/C23H25FN4O2/c24-19-6-1-4-17(12-19)14-23(30)26-21-16-27(11-8-22(21)29)15-18-5-2-7-20(13-18)28-10-3-9-25-28/h1-7,9-10,12-13,21-22,29H,8,11,14-16H2,(H,26,30)/t21-,22+/m1/s1
InChIKeyGFVAKVAZAZQLJT-YADHBBJMSA-N
XLogP2.31
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
4-[1-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56888182
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966924
acetic acid;3-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]propanamide
CID 154919982
methyl (2S)-2-hydroxy-2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetate
CID 97151791
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 39189076
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol
CID 92568648
N-[(3R,4S)-1-[(4-fluoro-2-methoxyphenyl)methyl]-4-hydroxypiperidin-3-yl]-4-phenylbutanamide
CID 154563351

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide (CID 154563710) is 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide is O=C(Cc1cccc(F)c1)N[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[C@@H]1O.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide?
The InChIKey is GFVAKVAZAZQLJT-YADHBBJMSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-6-1-4-17(12-19)14-23(30)26-21-16-27(11-8-22(21)29)15-18-5-2-7-20(13-18)28-10-3-9-25-28/h1-7,9-10,12-13,21-22,29H,8,11,14-16H2,(H,26,30)/t21-,22+/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide?
2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 154563710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).