(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

C19H23N3O3 — CID 90558657

IUPAC(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-14(2)24-16-6-4-15(5-7-16)18(23)22-12-8-17(9-13-22)25-19-20-10-3-11-21-19/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3
InChIKeyAVRLZJNJACUDTL-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds5

About (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90558657) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID90558657
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-14(2)24-16-6-4-15(5-7-16)18(23)22-12-8-17(9-13-22)25-19-20-10-3-11-21-19/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3
InChIKeyAVRLZJNJACUDTL-UHFFFAOYSA-N
XLogP2.95
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 139027232
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
CID 70702933
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 66262351
(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558762
[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 119071365
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
N-[(4S,5S)-5-hydroxy-1-(4-propan-2-yloxybenzoyl)azepan-4-yl]acetamide
CID 110126962

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 90558657) is (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is CC(C)Oc1ccc(C(=O)N2CCC(Oc3ncccn3)CC2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is AVRLZJNJACUDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(2)24-16-6-4-15(5-7-16)18(23)22-12-8-17(9-13-22)25-19-20-10-3-11-21-19/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90558657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).