(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

C18H21N3O3 — CID 121161847

IUPAC(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(Oc3ccncn3)CC2)cc1
InChIInChI=1S/C18H21N3O3/c1-2-23-15-5-3-14(4-6-15)18(22)21-11-8-16(9-12-21)24-17-7-10-19-13-20-17/h3-7,10,13,16H,2,8-9,11-12H2,1H3
InChIKeyQKPVEYSZCCXFAM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.56
Rot. Bonds5

About (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 121161847) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID121161847
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(Oc3ccncn3)CC2)cc1
InChIInChI=1S/C18H21N3O3/c1-2-23-15-5-3-14(4-6-15)18(22)21-11-8-16(9-12-21)24-17-7-10-19-13-20-17/h3-7,10,13,16H,2,8-9,11-12H2,1H3
InChIKeyQKPVEYSZCCXFAM-UHFFFAOYSA-N
XLogP2.56
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637338
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162010
[4-(2-methoxyethoxy)phenyl]-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617275
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121162565
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 121161847) is (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is CCOc1ccc(C(=O)N2CCC(Oc3ccncn3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is QKPVEYSZCCXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-23-15-5-3-14(4-6-15)18(22)21-11-8-16(9-12-21)24-17-7-10-19-13-20-17/h3-7,10,13,16H,2,8-9,11-12H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121161847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).