1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone

C24H25N3O3 — CID 121161345

IUPAC1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
SMILESCOc1nccc(OC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C24H25N3O3/c1-29-24-25-15-12-21(26-24)30-20-13-16-27(17-14-20)23(28)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,15,20,22H,13-14,16-17H2,1H3
InChIKeyICELGTYXDAGWLI-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.69
Rot. Bonds6

About 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone (PubChem CID 121161345) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
PubChem CID121161345
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
SMILESCOc1nccc(OC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C24H25N3O3/c1-29-24-25-15-12-21(26-24)30-20-13-16-27(17-14-20)23(28)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,15,20,22H,13-14,16-17H2,1H3
InChIKeyICELGTYXDAGWLI-UHFFFAOYSA-N
XLogP3.69
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
CID 121161322
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 121161527
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146
3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 121161190
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121161309
4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121161619
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone (CID 121161345) is 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone is COc1nccc(OC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is ICELGTYXDAGWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-24-25-15-12-21(26-24)30-20-13-16-27(17-14-20)23(28)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,15,20,22H,13-14,16-17H2,1H3.
What are the key properties of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone?
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 403.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 121161345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).