2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone

C18H23N3O2 — CID 100819878

IUPAC2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCc1cn(-c2ccccc2)nc1OCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C18H23N3O2/c1-14-7-6-10-20(11-14)17(22)13-23-18-15(2)12-21(19-18)16-8-4-3-5-9-16/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyGUGBVCDOJOFNJS-AWEZNQCLSA-N
MW313.40 g/mol
LogP2.82
Rot. Bonds4

About 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone

2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 100819878) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID100819878
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCc1cn(-c2ccccc2)nc1OCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C18H23N3O2/c1-14-7-6-10-20(11-14)17(22)13-23-18-15(2)12-21(19-18)16-8-4-3-5-9-16/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyGUGBVCDOJOFNJS-AWEZNQCLSA-N
XLogP2.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone
CID 100819889
1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
CID 100828971
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 112978910
2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 100829075
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 95875447
2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
CID 61398074
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 8664430
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 100819878) is 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone is Cc1cn(-c2ccccc2)nc1OCC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is GUGBVCDOJOFNJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-7-6-10-20(11-14)17(22)13-23-18-15(2)12-21(19-18)16-8-4-3-5-9-16/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 100819878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).