1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone

C17H22N4O2 — CID 95553144

IUPAC1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C17H22N4O2/c22-17(14-23-16-6-3-8-18-13-16)21-11-2-1-5-15(21)7-12-20-10-4-9-19-20/h3-4,6,8-10,13,15H,1-2,5,7,11-12,14H2/t15-/m0/s1
InChIKeyWSSNVJTUKQCABX-HNNXBMFYSA-N
MW314.39 g/mol
LogP2.13
Rot. Bonds6

About 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone

1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 95553144) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID95553144
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C17H22N4O2/c22-17(14-23-16-6-3-8-18-13-16)21-11-2-1-5-15(21)7-12-20-10-4-9-19-20/h3-4,6,8-10,13,15H,1-2,5,7,11-12,14H2/t15-/m0/s1
InChIKeyWSSNVJTUKQCABX-HNNXBMFYSA-N
XLogP2.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone with MolForge

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Related Compounds

[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97187193
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 99929057
3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 70742954
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110
4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
CID 56779308
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95343979
1-[2-(chloromethyl)azepan-1-yl]-2-phenoxyethanone
CID 116639088
[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 97138367
2-(4-acetylphenoxy)-1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]ethanone
CID 96572781
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone (CID 95553144) is 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone is O=C(COc1cccnc1)N1CCCC[C@H]1CCn1cccn1.
What is the InChIKey of 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is WSSNVJTUKQCABX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(14-23-16-6-3-8-18-13-16)21-11-2-1-5-15(21)7-12-20-10-4-9-19-20/h3-4,6,8-10,13,15H,1-2,5,7,11-12,14H2/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 314.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 95553144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).