[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

C21H25N3O3 — CID 139023150

IUPAC[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)CC1
InChIInChI=1S/C21H25N3O3/c1-15-13-22-20(23-14-15)27-16-7-11-24(12-8-16)19(25)21(9-10-21)17-5-3-4-6-18(17)26-2/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyWBKUTNFSNBDIHG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.90
Rot. Bonds5

About [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 139023150) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID139023150
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)CC1
InChIInChI=1S/C21H25N3O3/c1-15-13-22-20(23-14-15)27-16-7-11-24(12-8-16)19(25)21(9-10-21)17-5-3-4-6-18(17)26-2/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyWBKUTNFSNBDIHG-UHFFFAOYSA-N
XLogP2.90
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 139023150) is [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is COc1ccccc1C1(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)CC1.
What is the InChIKey of [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is WBKUTNFSNBDIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-13-22-20(23-14-15)27-16-7-11-24(12-8-16)19(25)21(9-10-21)17-5-3-4-6-18(17)26-2/h3-6,13-14,16H,7-12H2,1-2H3.
What are the key properties of [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 139023150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).