2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone

C17H22N4O2 — CID 125022006

IUPAC2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](Cc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C17H22N4O2/c1-23-12-17(22)21-8-2-3-14(11-21)9-13-4-5-15(18-10-13)16-6-7-19-20-16/h4-7,10,14H,2-3,8-9,11-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyYNRBFGFFUHZTRE-AWEZNQCLSA-N
MW314.39 g/mol
LogP1.90
Rot. Bonds5

About 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone

2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 125022006) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID125022006
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](Cc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C17H22N4O2/c1-23-12-17(22)21-8-2-3-14(11-21)9-13-4-5-15(18-10-13)16-6-7-19-20-16/h4-7,10,14H,2-3,8-9,11-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyYNRBFGFFUHZTRE-AWEZNQCLSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124984345
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196
2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124973600
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124994449
2,2-dimethyl-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124972146
2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110101383
4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide
CID 155790566
N-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]acetamide
CID 155790759
1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone
CID 155790767
methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid
CID 137364365
1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124990141
4-phenoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butan-1-one
CID 155790747

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 125022006) is 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@@H](Cc2ccc(-c3ccn[nH]3)nc2)C1.
What is the InChIKey of 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is YNRBFGFFUHZTRE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-12-17(22)21-8-2-3-14(11-21)9-13-4-5-15(18-10-13)16-6-7-19-20-16/h4-7,10,14H,2-3,8-9,11-12H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125022006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).