1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone

C20H24N4O — CID 157142610

IUPAC1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)Cc1ncnc(NCCC3CCNCC3)c1-2
InChIInChI=1S/C20H24N4O/c1-13(25)15-2-3-17-16(10-15)11-18-19(17)20(24-12-23-18)22-9-6-14-4-7-21-8-5-14/h2-3,10,12,14,21H,4-9,11H2,1H3,(H,22,23,24)
InChIKeyAKIYNNLMNPJXLN-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone

1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone (PubChem CID 157142610) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone
PubChem CID157142610
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)Cc1ncnc(NCCC3CCNCC3)c1-2
InChIInChI=1S/C20H24N4O/c1-13(25)15-2-3-17-16(10-15)11-18-19(17)20(24-12-23-18)22-9-6-14-4-7-21-8-5-14/h2-3,10,12,14,21H,4-9,11H2,1H3,(H,22,23,24)
InChIKeyAKIYNNLMNPJXLN-UHFFFAOYSA-N
XLogP3.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone (CID 157142610) is 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone is CC(=O)c1ccc2c(c1)Cc1ncnc(NCCC3CCNCC3)c1-2.
What is the InChIKey of 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone?
The InChIKey is AKIYNNLMNPJXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13(25)15-2-3-17-16(10-15)11-18-19(17)20(24-12-23-18)22-9-6-14-4-7-21-8-5-14/h2-3,10,12,14,21H,4-9,11H2,1H3,(H,22,23,24).
What are the key properties of 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone?
1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone has a molecular weight of 336.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-piperidin-4-ylethylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 157142610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).