4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

C22H29N5O2 — CID 165433606

IUPAC4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)n1
InChIInChI=1S/C22H29N5O2/c1-2-20-19(5-14-29-20)17-18(1)4-7-25-8-10-27(11-9-25)22-23-6-3-21(24-22)26-12-15-28-16-13-26/h1-3,6,17H,4-5,7-16H2
InChIKeyJBSMDKLOQOKZDT-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.61
Rot. Bonds5

About 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 165433606) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID165433606
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)n1
InChIInChI=1S/C22H29N5O2/c1-2-20-19(5-14-29-20)17-18(1)4-7-25-8-10-27(11-9-25)22-23-6-3-21(24-22)26-12-15-28-16-13-26/h1-3,6,17H,4-5,7-16H2
InChIKeyJBSMDKLOQOKZDT-UHFFFAOYSA-N
XLogP1.61
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604793
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 112886405
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175650328
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 166601889
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575832
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 165433606) is 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is c1cc(N2CCOCC2)nc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)n1.
What is the InChIKey of 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is JBSMDKLOQOKZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-2-20-19(5-14-29-20)17-18(1)4-7-25-8-10-27(11-9-25)22-23-6-3-21(24-22)26-12-15-28-16-13-26/h1-3,6,17H,4-5,7-16H2.
What are the key properties of 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 395.51 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 165433606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).