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

C16H20N4O2 — CID 155790580

IUPAC1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C16H20N4O2/c1-12(21)20-8-2-3-13(10-20)11-22-14-4-5-15(17-9-14)16-6-7-18-19-16/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyUFKKCKSCFYIGCE-ZDUSSCGKSA-N
MW300.36 g/mol
LogP2.11
Rot. Bonds4

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

1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone (PubChem CID 155790580) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
PubChem CID155790580
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](COc2ccc(-c3ccn[nH]3)nc2)C1
InChIInChI=1S/C16H20N4O2/c1-12(21)20-8-2-3-13(10-20)11-22-14-4-5-15(17-9-14)16-6-7-18-19-16/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyUFKKCKSCFYIGCE-ZDUSSCGKSA-N
XLogP2.11
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone (CID 155790580) is 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](COc2ccc(-c3ccn[nH]3)nc2)C1.
What is the InChIKey of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone?
The InChIKey is UFKKCKSCFYIGCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(21)20-8-2-3-13(10-20)11-22-14-4-5-15(17-9-14)16-6-7-18-19-16/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155790580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).