1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one

C22H24N4O2 — CID 131948781

IUPAC1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one
SMILESNc1nccc(C2CCN(C(=O)CC(c3ccccc3)c3ccco3)CC2)n1
InChIInChI=1S/C22H24N4O2/c23-22-24-11-8-19(25-22)17-9-12-26(13-10-17)21(27)15-18(20-7-4-14-28-20)16-5-2-1-3-6-16/h1-8,11,14,17-18H,9-10,12-13,15H2,(H2,23,24,25)
InChIKeySUIWVXMTZFUZPX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds5

About 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one

1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one (PubChem CID 131948781) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one
PubChem CID131948781
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one
SMILESNc1nccc(C2CCN(C(=O)CC(c3ccccc3)c3ccco3)CC2)n1
InChIInChI=1S/C22H24N4O2/c23-22-24-11-8-19(25-22)17-9-12-26(13-10-17)21(27)15-18(20-7-4-14-28-20)16-5-2-1-3-6-16/h1-8,11,14,17-18H,9-10,12-13,15H2,(H2,23,24,25)
InChIKeySUIWVXMTZFUZPX-UHFFFAOYSA-N
XLogP3.58
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one (CID 131948781) is 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one is Nc1nccc(C2CCN(C(=O)CC(c3ccccc3)c3ccco3)CC2)n1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one?
The InChIKey is SUIWVXMTZFUZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-22-24-11-8-19(25-22)17-9-12-26(13-10-17)21(27)15-18(20-7-4-14-28-20)16-5-2-1-3-6-16/h1-8,11,14,17-18H,9-10,12-13,15H2,(H2,23,24,25).
What are the key properties of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one?
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one has a molecular weight of 376.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 131948781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).