[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C18H22FN3O — CID 42459967

IUPAC[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC[C@H](CCc2cccc(F)c2)C1
InChIInChI=1S/C18H22FN3O/c1-21-17(9-10-20-21)18(23)22-11-3-5-15(13-22)8-7-14-4-2-6-16(19)12-14/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3/t15-/m1/s1
InChIKeyZLESVRSATJVHQJ-OAHLLOKOSA-N
MW315.39 g/mol
LogP3.04
Rot. Bonds4

About [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 42459967) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID42459967
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC[C@H](CCc2cccc(F)c2)C1
InChIInChI=1S/C18H22FN3O/c1-21-17(9-10-20-21)18(23)22-11-3-5-15(13-22)8-7-14-4-2-6-16(19)12-14/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3/t15-/m1/s1
InChIKeyZLESVRSATJVHQJ-OAHLLOKOSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42415250
6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 26333754
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 25374189
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45188597
(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 42245768
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 56867801
N-[2-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 25485498
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 95200233
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 56743313
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45196713
1-[4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 26401825

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 42459967) is [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC[C@H](CCc2cccc(F)c2)C1.
What is the InChIKey of [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ZLESVRSATJVHQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-21-17(9-10-20-21)18(23)22-11-3-5-15(13-22)8-7-14-4-2-6-16(19)12-14/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3/t15-/m1/s1.
What are the key properties of [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 315.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 42459967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).