1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile

C28H28N6O — CID 25098228

IUPAC1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1
InChIInChI=1S/C28H28N6O/c29-20-28(21-5-2-1-3-6-21)10-13-33(14-11-28)25-19-26(34-15-17-35-18-16-34)32-27(31-25)23-7-4-8-24-22(23)9-12-30-24/h1-9,12,19,30H,10-11,13-18H2
InChIKeyXOPIONYDVYCZMZ-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.52
Rot. Bonds4

About 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile

1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 25098228) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile
PubChem CID25098228
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1
InChIInChI=1S/C28H28N6O/c29-20-28(21-5-2-1-3-6-21)10-13-33(14-11-28)25-19-26(34-15-17-35-18-16-34)32-27(31-25)23-7-4-8-24-22(23)9-12-30-24/h1-9,12,19,30H,10-11,13-18H2
InChIKeyXOPIONYDVYCZMZ-UHFFFAOYSA-N
XLogP4.52
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile (CID 25098228) is 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1.
What is the InChIKey of 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is XOPIONYDVYCZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c29-20-28(21-5-2-1-3-6-21)10-13-33(14-11-28)25-19-26(34-15-17-35-18-16-34)32-27(31-25)23-7-4-8-24-22(23)9-12-30-24/h1-9,12,19,30H,10-11,13-18H2.
What are the key properties of 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile?
1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 464.57 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 25098228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).