[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

C22H24N4O — CID 70780089

IUPAC[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(21-16-20(24-25-21)18-11-13-23-14-12-18)26-15-5-4-8-19(26)10-9-17-6-2-1-3-7-17/h1-3,6-7,11-14,16,19H,4-5,8-10,15H2,(H,24,25)
InChIKeyWOIUOSAJXREHGC-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.10
Rot. Bonds5

About [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (PubChem CID 70780089) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
PubChem CID70780089
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(21-16-20(24-25-21)18-11-13-23-14-12-18)26-15-5-4-8-19(26)10-9-17-6-2-1-3-7-17/h1-3,6-7,11-14,16,19H,4-5,8-10,15H2,(H,24,25)
InChIKeyWOIUOSAJXREHGC-UHFFFAOYSA-N
XLogP4.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 136757581
[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 97138367
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 95851475
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 124874532
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 59285551
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 136883827
(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 110103570
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70715141

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (CID 70780089) is [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccncc2)n[nH]1)N1CCCCC1CCc1ccccc1.
What is the InChIKey of [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is WOIUOSAJXREHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(21-16-20(24-25-21)18-11-13-23-14-12-18)26-15-5-4-8-19(26)10-9-17-6-2-1-3-7-17/h1-3,6-7,11-14,16,19H,4-5,8-10,15H2,(H,24,25).
What are the key properties of [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 70780089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).