(2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide

C23H32FN5O5S — CID 162810031

About (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide

(2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide (PubChem CID 162810031) has the molecular formula C23H32FN5O5S and a molecular weight of 509.60 g/mol. Its IUPAC name is (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide
• PubChem CID: 162810031
• Molecular Formula: C23H32FN5O5S
• Molecular Weight: 509.60 g/mol
• Exact Mass: 509.21
• IUPAC Name: (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide
• SMILES: O=C(N[C@@H]1CCCNC1=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCN1C(=O)NC1CCCCC1
• InChI: InChI=1S/C23H32FN5O5S/c24-16-8-10-18(11-9-16)35(33,34)28-13-14-29(23(32)26-17-5-2-1-3-6-17)20(15-28)22(31)27-19-7-4-12-25-21(19)30/h8-11,17,19-20H,1-7,12-15H2,(H,25,30)(H,26,32)(H,27,31)/t19-,20-/m1/s1
• InChIKey: XNYLAEWVDDLIKA-WOJBJXKFSA-N
• XLogP: 0.94
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.60
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide?

The IUPAC name of (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide (CID 162810031) is (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide.

What is the SMILES notation for (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide?

The canonical SMILES for (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide is O=C(N[C@@H]1CCCNC1=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCN1C(=O)NC1CCCCC1.

What is the InChIKey of (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide?

The InChIKey is XNYLAEWVDDLIKA-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H32FN5O5S/c24-16-8-10-18(11-9-16)35(33,34)28-13-14-29(23(32)26-17-5-2-1-3-6-17)20(15-28)22(31)27-19-7-4-12-25-21(19)30/h8-11,17,19-20H,1-7,12-15H2,(H,25,30)(H,26,32)(H,27,31)/t19-,20-/m1/s1.

What are the key properties of (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide?

(2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide has a molecular weight of 509.60 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide is sourced from PubChem (CID 162810031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).