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

C16H20N4O — CID 124958196

IUPAC1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C16H20N4O/c1-12(21)20-8-2-3-14(11-20)9-13-4-5-15(17-10-13)16-6-7-18-19-16/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyGENBKIAVFKYVRD-AWEZNQCLSA-N
MW284.36 g/mol
LogP2.27
Rot. Bonds3

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

1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 124958196) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID124958196
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C16H20N4O/c1-12(21)20-8-2-3-14(11-20)9-13-4-5-15(17-10-13)16-6-7-18-19-16/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyGENBKIAVFKYVRD-AWEZNQCLSA-N
XLogP2.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124994449
2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 125022006
2-methoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124984345
2,2-dimethyl-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124972146
1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone
CID 155790767
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95821000
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124964101
2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124973600
N-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]acetamide
CID 155790759
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 124958196) is 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](Cc2ccc(-c3ccn[nH]3)nc2)C1.
What is the InChIKey of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is GENBKIAVFKYVRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(21)20-8-2-3-14(11-20)9-13-4-5-15(17-10-13)16-6-7-18-19-16/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124958196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).