2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide

C18H23FN4O3 — CID 125006358

IUPAC2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H23FN4O3/c1-22-10-15(9-20-22)21-17(24)11-23-8-2-7-18(25,12-23)13-26-16-5-3-14(19)4-6-16/h3-6,9-10,25H,2,7-8,11-13H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyUFOLITVJGYWMEE-SFHVURJKSA-N
MW362.41 g/mol
LogP1.40
Rot. Bonds6

About 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide

2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 125006358) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID125006358
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H23FN4O3/c1-22-10-15(9-20-22)21-17(24)11-23-8-2-7-18(25,12-23)13-26-16-5-3-14(19)4-6-16/h3-6,9-10,25H,2,7-8,11-13H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyUFOLITVJGYWMEE-SFHVURJKSA-N
XLogP1.40
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991889
N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991884
N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155990783
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-N-pyridin-2-ylacetamide
CID 132770541
2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 155991207
3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol
CID 155990623
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991987
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 132649278
(1-ethylpyrazol-4-yl)-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]methanone
CID 155990843
3-[(4-fluorophenoxy)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-ol
CID 132648969
N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 155990699

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (CID 125006358) is 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)cn1.
What is the InChIKey of 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is UFOLITVJGYWMEE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-22-10-15(9-20-22)21-17(24)11-23-8-2-7-18(25,12-23)13-26-16-5-3-14(19)4-6-16/h3-6,9-10,25H,2,7-8,11-13H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 125006358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).