(3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

C13H20N4O2 — CID 136879026

IUPAC(3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCOC1CCCN(C(=O)c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C13H20N4O2/c1-19-10-4-2-6-16(8-10)12(18)11-9-17-7-3-5-14-13(17)15-11/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyWEZMGFWPTFCQGP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.95
Rot. Bonds2

About (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

(3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 136879026) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID136879026
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCOC1CCCN(C(=O)c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C13H20N4O2/c1-19-10-4-2-6-16(8-10)12(18)11-9-17-7-3-5-14-13(17)15-11/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyWEZMGFWPTFCQGP-UHFFFAOYSA-N
XLogP0.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136745690
(3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136745742
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879160
(3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879080
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879118
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136994537
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879224
(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 102963897
(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone
CID 102969358
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 136879026) is (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is COC1CCCN(C(=O)c2cn3c(n2)NCCC3)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is WEZMGFWPTFCQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-10-4-2-6-16(8-10)12(18)11-9-17-7-3-5-14-13(17)15-11/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
(3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 136879026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).