3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

C21H24N4O — CID 110115033

IUPAC3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCc1nccc(C2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1
InChIInChI=1S/C21H24N4O/c1-15-22-11-10-19(24-15)17-5-4-12-25(14-17)21(26)9-8-16-13-23-20-7-3-2-6-18(16)20/h2-3,6-7,10-11,13,17,23H,4-5,8-9,12,14H2,1H3
InChIKeyGLHPKLYJIODFHC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.61
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 110115033) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID110115033
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCc1nccc(C2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1
InChIInChI=1S/C21H24N4O/c1-15-22-11-10-19(24-15)17-5-4-12-25(14-17)21(26)9-8-16-13-23-20-7-3-2-6-18(16)20/h2-3,6-7,10-11,13,17,23H,4-5,8-9,12,14H2,1H3
InChIKeyGLHPKLYJIODFHC-UHFFFAOYSA-N
XLogP3.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
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1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
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3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (CID 110115033) is 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is Cc1nccc(C2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GLHPKLYJIODFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-22-11-10-19(24-15)17-5-4-12-25(14-17)21(26)9-8-16-13-23-20-7-3-2-6-18(16)20/h2-3,6-7,10-11,13,17,23H,4-5,8-9,12,14H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110115033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).