(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

C16H24N4O2 — CID 71799141

IUPAC(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCN1CCCC(C(=O)N2CCC(Oc3ncccn3)CC2)C1
InChIInChI=1S/C16H24N4O2/c1-19-9-2-4-13(12-19)15(21)20-10-5-14(6-11-20)22-16-17-7-3-8-18-16/h3,7-8,13-14H,2,4-6,9-12H2,1H3
InChIKeyCZXFHAXDAGAZPQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.19
Rot. Bonds3

About (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 71799141) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID71799141
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCN1CCCC(C(=O)N2CCC(Oc3ncccn3)CC2)C1
InChIInChI=1S/C16H24N4O2/c1-19-9-2-4-13(12-19)15(21)20-10-5-14(6-11-20)22-16-17-7-3-8-18-16/h3,7-8,13-14H,2,4-6,9-12H2,1H3
InChIKeyCZXFHAXDAGAZPQ-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 122257425
(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940
(1-methylpiperidin-3-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 163347903
oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 74238548
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
cyclobutyl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129491136
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90558754
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121184137
(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257240

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 71799141) is (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is CN1CCCC(C(=O)N2CCC(Oc3ncccn3)CC2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is CZXFHAXDAGAZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-9-2-4-13(12-19)15(21)20-10-5-14(6-11-20)22-16-17-7-3-8-18-16/h3,7-8,13-14H,2,4-6,9-12H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 71799141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).