cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate

C25H32N4O5S — CID 68563988

About cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate

cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 68563988) has the molecular formula C25H32N4O5S and a molecular weight of 500.62 g/mol. Its IUPAC name is cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

• Compound Name: cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
• PubChem CID: 68563988
• Molecular Formula: C25H32N4O5S
• Molecular Weight: 500.62 g/mol
• Exact Mass: 500.21
• IUPAC Name: cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
• SMILES: CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(OC2CCN(C(=O)OCC3CCCC3)CC2)ncn1
• InChI: InChI=1S/C25H32N4O5S/c1-35(31,32)21-6-7-22-19(14-21)8-13-29(22)23-15-24(27-17-26-23)34-20-9-11-28(12-10-20)25(30)33-16-18-4-2-3-5-18/h6-7,14-15,17-18,20H,2-5,8-13,16H2,1H3
• InChIKey: PIUHXHOOSABFCI-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 101.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.62
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate?

The IUPAC name of cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 68563988) is cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate.

What is the SMILES notation for cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate?

The canonical SMILES for cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate is CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(OC2CCN(C(=O)OCC3CCCC3)CC2)ncn1.

What is the InChIKey of cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate?

The InChIKey is PIUHXHOOSABFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5S/c1-35(31,32)21-6-7-22-19(14-21)8-13-29(22)23-15-24(27-17-26-23)34-20-9-11-28(12-10-20)25(30)33-16-18-4-2-3-5-18/h6-7,14-15,17-18,20H,2-5,8-13,16H2,1H3.

What are the key properties of cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate?

cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 500.62 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 68563988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).