[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone

C19H24N4O3 — CID 121162695

IUPAC[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCc1nccc(OC2CCN(C(=O)c3ccc(OC(C)C)nc3)CC2)n1
InChIInChI=1S/C19H24N4O3/c1-13(2)25-17-5-4-15(12-21-17)19(24)23-10-7-16(8-11-23)26-18-6-9-20-14(3)22-18/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3
InChIKeyVYTDKLMTDXTWCB-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.65
Rot. Bonds5

About [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone

[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 121162695) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID121162695
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCc1nccc(OC2CCN(C(=O)c3ccc(OC(C)C)nc3)CC2)n1
InChIInChI=1S/C19H24N4O3/c1-13(2)25-17-5-4-15(12-21-17)19(24)23-10-7-16(8-11-23)26-18-6-9-20-14(3)22-18/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3
InChIKeyVYTDKLMTDXTWCB-UHFFFAOYSA-N
XLogP2.65
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-iodophenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162620
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzonitrile
CID 121162572
(3-fluoro-4-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162658
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121162565
5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one
CID 121162543
(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162428
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 90639741
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone (CID 121162695) is [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone is Cc1nccc(OC2CCN(C(=O)c3ccc(OC(C)C)nc3)CC2)n1.
What is the InChIKey of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is VYTDKLMTDXTWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)25-17-5-4-15(12-21-17)19(24)23-10-7-16(8-11-23)26-18-6-9-20-14(3)22-18/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3.
What are the key properties of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 356.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 121162695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).