morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone

C22H27N5O2 — CID 109300569

IUPACmorpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)n1)N1CCOCC1
InChIInChI=1S/C22H27N5O2/c28-21(26-15-17-29-18-16-26)20-8-9-23-22(24-20)27-13-11-25(12-14-27)10-4-7-19-5-2-1-3-6-19/h1-9H,10-18H2/b7-4+
InChIKeyJKHXMRYOVYATKY-QPJJXVBHSA-N
MW393.49 g/mol
LogP1.78
Rot. Bonds5

About morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone

morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone (PubChem CID 109300569) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone
PubChem CID109300569
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Namemorpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)n1)N1CCOCC1
InChIInChI=1S/C22H27N5O2/c28-21(26-15-17-29-18-16-26)20-8-9-23-22(24-20)27-13-11-25(12-14-27)10-4-7-19-5-2-1-3-6-19/h1-9H,10-18H2/b7-4+
InChIKeyJKHXMRYOVYATKY-QPJJXVBHSA-N
XLogP1.78
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55854973
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295386
N-pentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310482
[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109295584
1,2-oxazol-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110693756
(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109321596
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
[2-(butylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109296370
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
(5-amino-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110854674
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
4-[4-(4-benzylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109302704

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone (CID 109300569) is morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone is O=C(c1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone?
The InChIKey is JKHXMRYOVYATKY-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-21(26-15-17-29-18-16-26)20-8-9-23-22(24-20)27-13-11-25(12-14-27)10-4-7-19-5-2-1-3-6-19/h1-9H,10-18H2/b7-4+.
What are the key properties of morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone?
morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone has a molecular weight of 393.49 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109300569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).