1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one

C24H26F2N4O5S — CID 67470538

IUPAC1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one
SMILESCC(=O)c1ccc(N2CCC(N3CCCC(Nc4cc(F)c(S(C)(=O)=O)cc4F)C3=O)CC2=O)nc1
InChIInChI=1S/C24H26F2N4O5S/c1-14(31)15-5-6-22(27-13-15)30-9-7-16(10-23(30)32)29-8-3-4-19(24(29)33)28-20-11-18(26)21(12-17(20)25)36(2,34)35/h5-6,11-13,16,19,28H,3-4,7-10H2,1-2H3
InChIKeyPEZKFDPUIRTGCM-UHFFFAOYSA-N
MW520.56 g/mol
LogP2.56
Rot. Bonds6

About 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one

1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one (PubChem CID 67470538) has the molecular formula C24H26F2N4O5S and a molecular weight of 520.56 g/mol. Its IUPAC name is 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one.

Molecular Properties

Compound Name1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one
PubChem CID67470538
Molecular FormulaC24H26F2N4O5S
Molecular Weight520.56 g/mol
Exact Mass520.16
IUPAC Name1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one
SMILESCC(=O)c1ccc(N2CCC(N3CCCC(Nc4cc(F)c(S(C)(=O)=O)cc4F)C3=O)CC2=O)nc1
InChIInChI=1S/C24H26F2N4O5S/c1-14(31)15-5-6-22(27-13-15)30-9-7-16(10-23(30)32)29-8-3-4-19(24(29)33)28-20-11-18(26)21(12-17(20)25)36(2,34)35/h5-6,11-13,16,19,28H,3-4,7-10H2,1-2H3
InChIKeyPEZKFDPUIRTGCM-UHFFFAOYSA-N
XLogP2.56
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.56
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one?
The IUPAC name of 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one (CID 67470538) is 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one.
What is the SMILES notation for 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one?
The canonical SMILES for 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one is CC(=O)c1ccc(N2CCC(N3CCCC(Nc4cc(F)c(S(C)(=O)=O)cc4F)C3=O)CC2=O)nc1.
What is the InChIKey of 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one?
The InChIKey is PEZKFDPUIRTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O5S/c1-14(31)15-5-6-22(27-13-15)30-9-7-16(10-23(30)32)29-8-3-4-19(24(29)33)28-20-11-18(26)21(12-17(20)25)36(2,34)35/h5-6,11-13,16,19,28H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one?
1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one has a molecular weight of 520.56 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-acetyl-2-pyridinyl)-2-oxopiperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)piperidin-2-one is sourced from PubChem (CID 67470538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).