1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one

C24H27Cl2F2N3O2 — CID 23022221

IUPAC1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C24H27Cl2F2N3O2/c25-20-13-19(29-5-6-30-7-9-33-10-8-30)14-21(26)24(20)31-15-16(1-4-23(31)32)11-17-2-3-18(27)12-22(17)28/h2-3,12-14,16,29H,1,4-11,15H2
InChIKeyBLKONFPIMVYNCE-UHFFFAOYSA-N
MW498.40 g/mol
LogP5.00
Rot. Bonds7

About 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one

1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (PubChem CID 23022221) has the molecular formula C24H27Cl2F2N3O2 and a molecular weight of 498.40 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
PubChem CID23022221
Molecular FormulaC24H27Cl2F2N3O2
Molecular Weight498.40 g/mol
Exact Mass497.14
IUPAC Name1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C24H27Cl2F2N3O2/c25-20-13-19(29-5-6-30-7-9-33-10-8-30)14-21(26)24(20)31-15-16(1-4-23(31)32)11-17-2-3-18(27)12-22(17)28/h2-3,12-14,16,29H,1,4-11,15H2
InChIKeyBLKONFPIMVYNCE-UHFFFAOYSA-N
XLogP5.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (CID 23022221) is 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is O=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(NCCN2CCOCC2)cc1Cl.
What is the InChIKey of 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The InChIKey is BLKONFPIMVYNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2F2N3O2/c25-20-13-19(29-5-6-30-7-9-33-10-8-30)14-21(26)24(20)31-15-16(1-4-23(31)32)11-17-2-3-18(27)12-22(17)28/h2-3,12-14,16,29H,1,4-11,15H2.
What are the key properties of 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one has a molecular weight of 498.40 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(2-morpholin-4-ylethylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 23022221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).