(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

C17H17F2N3O3 — CID 122261376

IUPAC(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccc(F)cc3F)C2)n1
InChIInChI=1S/C17H17F2N3O3/c1-24-17-20-7-6-15(21-17)25-12-3-2-8-22(10-12)16(23)13-5-4-11(18)9-14(13)19/h4-7,9,12H,2-3,8,10H2,1H3
InChIKeyCWUQRMGESCQPAJ-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.45
Rot. Bonds4

About (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 122261376) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID122261376
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccc(F)cc3F)C2)n1
InChIInChI=1S/C17H17F2N3O3/c1-24-17-20-7-6-15(21-17)25-12-3-2-8-22(10-12)16(23)13-5-4-11(18)9-14(13)19/h4-7,9,12H,2-3,8,10H2,1H3
InChIKeyCWUQRMGESCQPAJ-UHFFFAOYSA-N
XLogP2.45
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-difluorophenyl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260843
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 122261529
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 122261212
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122261521
(3-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261282
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412
(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 122261376) is (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is COc1nccc(OC2CCCN(C(=O)c3ccc(F)cc3F)C2)n1.
What is the InChIKey of (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is CWUQRMGESCQPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-24-17-20-7-6-15(21-17)25-12-3-2-8-22(10-12)16(23)13-5-4-11(18)9-14(13)19/h4-7,9,12H,2-3,8,10H2,1H3.
What are the key properties of (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 349.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122261376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).