1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone

C16H20N4O2 — CID 90566486

IUPAC1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1ccc(OC2CCN(C(=O)Cn3cccn3)CC2)cn1
InChIInChI=1S/C16H20N4O2/c1-13-3-4-15(11-17-13)22-14-5-9-19(10-6-14)16(21)12-20-8-2-7-18-20/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3
InChIKeyWILZUTMSQZHCJD-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.66
Rot. Bonds4

About 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 90566486) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID90566486
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1ccc(OC2CCN(C(=O)Cn3cccn3)CC2)cn1
InChIInChI=1S/C16H20N4O2/c1-13-3-4-15(11-17-13)22-14-5-9-19(10-6-14)16(21)12-20-8-2-7-18-20/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3
InChIKeyWILZUTMSQZHCJD-UHFFFAOYSA-N
XLogP1.66
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 90566368
1-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 100627527
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
CID 90566288
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
CID 90566394
3-[3-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90566265
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566437
(2-fluorophenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566330
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
(2S)-2-amino-3-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67529006
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one
CID 90566440

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 90566486) is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone is Cc1ccc(OC2CCN(C(=O)Cn3cccn3)CC2)cn1.
What is the InChIKey of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is WILZUTMSQZHCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-13-3-4-15(11-17-13)22-14-5-9-19(10-6-14)16(21)12-20-8-2-7-18-20/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3.
What are the key properties of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 300.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 90566486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).