1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone

C18H23N3O2 — CID 110106586

IUPAC1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1cn[nH]c1CC1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C18H23N3O2/c1-14-11-19-20-17(14)10-15-6-5-9-21(12-15)18(22)13-23-16-7-3-2-4-8-16/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3,(H,19,20)
InChIKeyVQWSQCGPDRREDQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.58
Rot. Bonds5

About 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone

1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 110106586) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID110106586
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1cn[nH]c1CC1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C18H23N3O2/c1-14-11-19-20-17(14)10-15-6-5-9-21(12-15)18(22)13-23-16-7-3-2-4-8-16/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3,(H,19,20)
InChIKeyVQWSQCGPDRREDQ-UHFFFAOYSA-N
XLogP2.58
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
2-(benzimidazol-1-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125008799
2-(4-fluorophenyl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 110106592
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124995402
isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106635
1-[3-(bromomethyl)piperidin-1-yl]-2-phenoxyethanone
CID 80661274
3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125020977
3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 155983538
(5-methylpyrazin-2-yl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106565
(5-methylpyrazin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124970869
3-(benzotriazol-1-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125006402
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone (CID 110106586) is 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone is Cc1cn[nH]c1CC1CCCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is VQWSQCGPDRREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-11-19-20-17(14)10-15-6-5-9-21(12-15)18(22)13-23-16-7-3-2-4-8-16/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3,(H,19,20).
What are the key properties of 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone?
1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 313.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110106586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).