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

C15H23N5O3 — CID 26436780

IUPAC2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-22-13-2-3-16-15(17-13)20-6-4-18(5-7-20)12-14(21)19-8-10-23-11-9-19/h2-3H,4-12H2,1H3
InChIKeyBFORFCVUVRTOGF-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.53
Rot. Bonds4

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

2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 26436780) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID26436780
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-22-13-2-3-16-15(17-13)20-6-4-18(5-7-20)12-14(21)19-8-10-23-11-9-19/h2-3H,4-12H2,1H3
InChIKeyBFORFCVUVRTOGF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 26436780) is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone is COc1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is BFORFCVUVRTOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-22-13-2-3-16-15(17-13)20-6-4-18(5-7-20)12-14(21)19-8-10-23-11-9-19/h2-3H,4-12H2,1H3.
What are the key properties of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-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 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 26436780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).