2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

C17H22N4O2 — CID 97134776

IUPAC2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESCc1ccnn1CC(=O)N1CCC[C@H](OCc2ccccn2)C1
InChIInChI=1S/C17H22N4O2/c1-14-7-9-19-21(14)12-17(22)20-10-4-6-16(11-20)23-13-15-5-2-3-8-18-15/h2-3,5,7-9,16H,4,6,10-13H2,1H3/t16-/m0/s1
InChIKeyFRLJCTYKKLHYKF-INIZCTEOSA-N
MW314.39 g/mol
LogP1.79
Rot. Bonds5

About 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 97134776) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID97134776
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESCc1ccnn1CC(=O)N1CCC[C@H](OCc2ccccn2)C1
InChIInChI=1S/C17H22N4O2/c1-14-7-9-19-21(14)12-17(22)20-10-4-6-16(11-20)23-13-15-5-2-3-8-18-15/h2-3,5,7-9,16H,4,6,10-13H2,1H3/t16-/m0/s1
InChIKeyFRLJCTYKKLHYKF-INIZCTEOSA-N
XLogP1.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 99931641
2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97115501
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91778297
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 131939331
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
(3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126453895
3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70711493
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
2-[(2-fluorophenyl)methyl-methylamino]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91786226

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (CID 97134776) is 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is Cc1ccnn1CC(=O)N1CCC[C@H](OCc2ccccn2)C1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is FRLJCTYKKLHYKF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14-7-9-19-21(14)12-17(22)20-10-4-6-16(11-20)23-13-15-5-2-3-8-18-15/h2-3,5,7-9,16H,4,6,10-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 97134776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).