(3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone

C22H26N6O2 — CID 143341410

IUPAC(3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone
SMILESCc1cccc(C(=O)c2nc3nc(N4CCOCC4)nc(N4CCCCC4)c3[nH]2)c1
InChIInChI=1S/C22H26N6O2/c1-15-6-5-7-16(14-15)18(29)20-23-17-19(24-20)25-22(28-10-12-30-13-11-28)26-21(17)27-8-3-2-4-9-27/h5-7,14H,2-4,8-13H2,1H3,(H,23,24,25,26)
InChIKeySTYULDLUMAMMDC-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.72
Rot. Bonds4

About (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone

(3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone (PubChem CID 143341410) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone
PubChem CID143341410
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name(3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone
SMILESCc1cccc(C(=O)c2nc3nc(N4CCOCC4)nc(N4CCCCC4)c3[nH]2)c1
InChIInChI=1S/C22H26N6O2/c1-15-6-5-7-16(14-15)18(29)20-23-17-19(24-20)25-22(28-10-12-30-13-11-28)26-21(17)27-8-3-2-4-9-27/h5-7,14H,2-4,8-13H2,1H3,(H,23,24,25,26)
InChIKeySTYULDLUMAMMDC-UHFFFAOYSA-N
XLogP2.72
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone with MolForge

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Related Compounds

N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 138682292
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-phenylpiperazin-1-yl)methanone
CID 122589764
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356836
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
CID 42635323
4-[4-morpholin-4-yl-6-(6-piperidin-1-yl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 58508085
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
CID 71253386
(2-methylphenyl)-(4-morpholin-4-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 46050939
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone?
The IUPAC name of (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone (CID 143341410) is (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone is Cc1cccc(C(=O)c2nc3nc(N4CCOCC4)nc(N4CCCCC4)c3[nH]2)c1.
What is the InChIKey of (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone?
The InChIKey is STYULDLUMAMMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-6-5-7-16(14-15)18(29)20-23-17-19(24-20)25-22(28-10-12-30-13-11-28)26-21(17)27-8-3-2-4-9-27/h5-7,14H,2-4,8-13H2,1H3,(H,23,24,25,26).
What are the key properties of (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone?
(3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone has a molecular weight of 406.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(2-morpholin-4-yl-6-piperidin-1-yl-7H-purin-8-yl)methanone is sourced from PubChem (CID 143341410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).