1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone

C17H22N4O2 — CID 155790767

IUPAC1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](CCOc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C17H22N4O2/c1-13(22)21-9-2-3-14(12-21)7-10-23-15-4-5-16(18-11-15)17-6-8-19-20-17/h4-6,8,11,14H,2-3,7,9-10,12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyOISPCWOWEMHMDR-CQSZACIVSA-N
MW314.39 g/mol
LogP2.50
Rot. Bonds5

About 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone

1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone (PubChem CID 155790767) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone
PubChem CID155790767
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](CCOc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C17H22N4O2/c1-13(22)21-9-2-3-14(12-21)7-10-23-15-4-5-16(18-11-15)17-6-8-19-20-17/h4-6,8,11,14H,2-3,7,9-10,12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyOISPCWOWEMHMDR-CQSZACIVSA-N
XLogP2.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196
4-phenoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butan-1-one
CID 155790747
N-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]acetamide
CID 155790759
4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide
CID 155790566
methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid
CID 137364365
4-[(2R)-2-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]cyclohexyl]butan-2-one
CID 130360220
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124994449
1,1-dimethyl-3-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]urea
CID 155790633
2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 125022006
3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one
CID 155790737
5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790573
2-(1H-pyrazol-5-yl)-5-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methoxy]pyridine
CID 155790726

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone (CID 155790767) is 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](CCOc2ccc(-c3ccn[nH]3)nc2)C1.
What is the InChIKey of 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone?
The InChIKey is OISPCWOWEMHMDR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(22)21-9-2-3-14(12-21)7-10-23-15-4-5-16(18-11-15)17-6-8-19-20-17/h4-6,8,11,14H,2-3,7,9-10,12H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155790767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).