2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone

C19H21N3O3 — CID 717251

IUPAC2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-15-2-4-17(5-3-15)25-14-18(23)21-10-12-22(13-11-21)19(24)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3
InChIKeyXMEUTNQKZRCMIG-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone

2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 717251) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID717251
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-15-2-4-17(5-3-15)25-14-18(23)21-10-12-22(13-11-21)19(24)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3
InChIKeyXMEUTNQKZRCMIG-UHFFFAOYSA-N
XLogP1.75
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 2303641
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isonicotinamide
CID 10640907
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 110284669
Cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
CID 162643335
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
[4-[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]phenyl] pyridine-4-carboxylate
CID 2325697
[2-[2-(3,4-Diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
CID 2477265
2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 2524533
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide
CID 2532614
2-(4-benzoylphenoxy)-N-pyridin-3-ylacetamide
CID 2534340
2-(4-propionylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2595155

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone (CID 717251) is 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is XMEUTNQKZRCMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-15-2-4-17(5-3-15)25-14-18(23)21-10-12-22(13-11-21)19(24)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 339.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 717251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).