1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone

C15H23N5O3 — CID 56807292

IUPAC1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1ccnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-22-13-2-3-16-15(17-13)20-6-4-19(5-7-20)14(21)12-18-8-10-23-11-9-18/h2-3H,4-12H2,1H3
InChIKeyDBUFMRROXAKCFY-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.53
Rot. Bonds4

About 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 56807292) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID56807292
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1ccnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-22-13-2-3-16-15(17-13)20-6-4-19(5-7-20)14(21)12-18-8-10-23-11-9-18/h2-3H,4-12H2,1H3
InChIKeyDBUFMRROXAKCFY-UHFFFAOYSA-N
XLogP-0.53
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 56807292) is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone is COc1ccnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1.
What is the InChIKey of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is DBUFMRROXAKCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-22-13-2-3-16-15(17-13)20-6-4-19(5-7-20)14(21)12-18-8-10-23-11-9-18/h2-3H,4-12H2,1H3.
What are the key properties of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 321.38 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 56807292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).