(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone

C18H24N4O2 — CID 53150962

IUPAC(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C18H24N4O2/c1-2-22-17(5-11-20-22)18(23)21-12-6-15(7-13-21)8-14-24-16-3-9-19-10-4-16/h3-5,9-11,15H,2,6-8,12-14H2,1H3
InChIKeyJFYHYTSPMKBBKU-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.62
Rot. Bonds6

About (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone (PubChem CID 53150962) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
PubChem CID53150962
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C18H24N4O2/c1-2-22-17(5-11-20-22)18(23)21-12-6-15(7-13-21)8-14-24-16-3-9-19-10-4-16/h3-5,9-11,15H,2,6-8,12-14H2,1H3
InChIKeyJFYHYTSPMKBBKU-UHFFFAOYSA-N
XLogP2.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(cyclopropylmethoxy)ethyl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 71841527
1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one
CID 53150958
(2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53150657
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
4-(3-pyridin-4-yloxypropyl)piperidine-1-carboxylic acid
CID 154254683
4-(2-cyclopropylethoxy)pyridine
CID 174949801
(2-ethylpyrazol-3-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134062
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
N-benzyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150970
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415
[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91919964

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone (CID 53150962) is (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(CCOc2ccncc2)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone?
The InChIKey is JFYHYTSPMKBBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-22-17(5-11-20-22)18(23)21-12-6-15(7-13-21)8-14-24-16-3-9-19-10-4-16/h3-5,9-11,15H,2,6-8,12-14H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).