4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one

C22H29N7O2 — CID 155545385

IUPAC4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one
SMILESO=C1CN(c2nc(-c3cccnc3)cc(N3CCC(N4CCOCC4)CC3)n2)CCN1
InChIInChI=1S/C22H29N7O2/c30-21-16-29(9-6-24-21)22-25-19(17-2-1-5-23-15-17)14-20(26-22)28-7-3-18(4-8-28)27-10-12-31-13-11-27/h1-2,5,14-15,18H,3-4,6-13,16H2,(H,24,30)
InChIKeyUBKKIQIQTFVAHS-UHFFFAOYSA-N
MW423.52 g/mol
LogP0.78
Rot. Bonds4

About 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one

4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one (PubChem CID 155545385) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one
PubChem CID155545385
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one
SMILESO=C1CN(c2nc(-c3cccnc3)cc(N3CCC(N4CCOCC4)CC3)n2)CCN1
InChIInChI=1S/C22H29N7O2/c30-21-16-29(9-6-24-21)22-25-19(17-2-1-5-23-15-17)14-20(26-22)28-7-3-18(4-8-28)27-10-12-31-13-11-27/h1-2,5,14-15,18H,3-4,6-13,16H2,(H,24,30)
InChIKeyUBKKIQIQTFVAHS-UHFFFAOYSA-N
XLogP0.78
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one?
The IUPAC name of 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one (CID 155545385) is 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one?
The canonical SMILES for 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one is O=C1CN(c2nc(-c3cccnc3)cc(N3CCC(N4CCOCC4)CC3)n2)CCN1.
What is the InChIKey of 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one?
The InChIKey is UBKKIQIQTFVAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c30-21-16-29(9-6-24-21)22-25-19(17-2-1-5-23-15-17)14-20(26-22)28-7-3-18(4-8-28)27-10-12-31-13-11-27/h1-2,5,14-15,18H,3-4,6-13,16H2,(H,24,30).
What are the key properties of 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one?
4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one has a molecular weight of 423.52 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]piperazin-2-one is sourced from PubChem (CID 155545385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).