[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone

C21H21N3O2 — CID 121162462

IUPAC[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1nccc(OC2CCN(C(=O)c3cccc4ccccc34)CC2)n1
InChIInChI=1S/C21H21N3O2/c1-15-22-12-9-20(23-15)26-17-10-13-24(14-11-17)21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyMOTOKCLWFXIFPW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.62
Rot. Bonds3

About [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone

[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 121162462) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID121162462
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1nccc(OC2CCN(C(=O)c3cccc4ccccc34)CC2)n1
InChIInChI=1S/C21H21N3O2/c1-15-22-12-9-20(23-15)26-17-10-13-24(14-11-17)21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyMOTOKCLWFXIFPW-UHFFFAOYSA-N
XLogP3.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413
naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122160882
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121162565
(4-iodophenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162620
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121162475
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162428
4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzonitrile
CID 121162572
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378
(3-fluoro-4-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162658

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone (CID 121162462) is [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone is Cc1nccc(OC2CCN(C(=O)c3cccc4ccccc34)CC2)n1.
What is the InChIKey of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is MOTOKCLWFXIFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-22-12-9-20(23-15)26-17-10-13-24(14-11-17)21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-9,12,17H,10-11,13-14H2,1H3.
What are the key properties of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone?
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 121162462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).