[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C22H24N4O2 — CID 122566404

IUPAC[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCc1c(-c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cc2)cnn1C
InChIInChI=1S/C22H24N4O2/c1-16-21(15-24-25(16)2)17-5-7-18(8-6-17)22(27)26-12-9-19(10-13-26)28-20-4-3-11-23-14-20/h3-8,11,14-15,19H,9-10,12-13H2,1-2H3
InChIKeyLDMLURPQDBNPAA-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.47
Rot. Bonds4

About [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 122566404) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID122566404
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCc1c(-c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cc2)cnn1C
InChIInChI=1S/C22H24N4O2/c1-16-21(15-24-25(16)2)17-5-7-18(8-6-17)22(27)26-12-9-19(10-13-26)28-20-4-3-11-23-14-20/h3-8,11,14-15,19H,9-10,12-13H2,1-2H3
InChIKeyLDMLURPQDBNPAA-UHFFFAOYSA-N
XLogP3.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 95223445
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28851005
[6-[methyl(propyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56743978
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351

Frequently Asked Questions

What is the IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 122566404) is [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is Cc1c(-c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cc2)cnn1C.
What is the InChIKey of [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is LDMLURPQDBNPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-21(15-24-25(16)2)17-5-7-18(8-6-17)22(27)26-12-9-19(10-13-26)28-20-4-3-11-23-14-20/h3-8,11,14-15,19H,9-10,12-13H2,1-2H3.
What are the key properties of [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122566404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).