2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane

C24H33N5O3 — CID 157032148

About 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane

2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane (PubChem CID 157032148) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane.

Molecular Properties

• Compound Name: 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane
• PubChem CID: 157032148
• Molecular Formula: C24H33N5O3
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.26
• IUPAC Name: 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane
• SMILES: C1CCOC1.CN(CC(=O)N1CCCCC1)c1nc(-c2cc(=O)cc[nH]2)nc2c1CCC2
• InChI: InChI=1S/C20H25N5O2.C4H8O/c1-24(13-18(27)25-10-3-2-4-11-25)20-15-6-5-7-16(15)22-19(23-20)17-12-14(26)8-9-21-17;1-2-4-5-3-1/h8-9,12H,2-7,10-11,13H2,1H3,(H,21,26);1-4H2
• InChIKey: QENPAXDKLOHCTF-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 91.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane?

The IUPAC name of 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane (CID 157032148) is 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane.

What is the SMILES notation for 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane?

The canonical SMILES for 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane is C1CCOC1.CN(CC(=O)N1CCCCC1)c1nc(-c2cc(=O)cc[nH]2)nc2c1CCC2.

What is the InChIKey of 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane?

The InChIKey is QENPAXDKLOHCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.C4H8O/c1-24(13-18(27)25-10-3-2-4-11-25)20-15-6-5-7-16(15)22-19(23-20)17-12-14(26)8-9-21-17;1-2-4-5-3-1/h8-9,12H,2-7,10-11,13H2,1H3,(H,21,26);1-4H2.

What are the key properties of 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane?

2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane has a molecular weight of 439.56 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyridin-4-one;oxolane is sourced from PubChem (CID 157032148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).