(6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione

C29H33F2N3O4 — CID 71248100

IUPAC(6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione
SMILESCC[C@@H](C)[C@@H]1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1C(C(=O)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C29H33F2N3O4/c1-3-17(2)25-27(35)32-24(20-14-18-6-4-5-7-19(18)15-20)28(36)34(25)26(22-9-8-21(30)16-23(22)31)29(37)33-10-12-38-13-11-33/h4-9,16-17,20,24-26H,3,10-15H2,1-2H3,(H,32,35)/t17-,24?,25-,26?/m1/s1
InChIKeyYJODYRKJPWZNDI-OQUQOFSLSA-N
MW525.60 g/mol
LogP3.02
Rot. Bonds6

About (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione

(6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione (PubChem CID 71248100) has the molecular formula C29H33F2N3O4 and a molecular weight of 525.60 g/mol. Its IUPAC name is (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name(6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione
PubChem CID71248100
Molecular FormulaC29H33F2N3O4
Molecular Weight525.60 g/mol
Exact Mass525.24
IUPAC Name(6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione
SMILESCC[C@@H](C)[C@@H]1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1C(C(=O)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C29H33F2N3O4/c1-3-17(2)25-27(35)32-24(20-14-18-6-4-5-7-19(18)15-20)28(36)34(25)26(22-9-8-21(30)16-23(22)31)29(37)33-10-12-38-13-11-33/h4-9,16-17,20,24-26H,3,10-15H2,1-2H3,(H,32,35)/t17-,24?,25-,26?/m1/s1
InChIKeyYJODYRKJPWZNDI-OQUQOFSLSA-N
XLogP3.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione?
The IUPAC name of (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione (CID 71248100) is (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione.
What is the SMILES notation for (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione?
The canonical SMILES for (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione is CC[C@@H](C)[C@@H]1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1C(C(=O)N1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione?
The InChIKey is YJODYRKJPWZNDI-OQUQOFSLSA-N. The full InChI is InChI=1S/C29H33F2N3O4/c1-3-17(2)25-27(35)32-24(20-14-18-6-4-5-7-19(18)15-20)28(36)34(25)26(22-9-8-21(30)16-23(22)31)29(37)33-10-12-38-13-11-33/h4-9,16-17,20,24-26H,3,10-15H2,1-2H3,(H,32,35)/t17-,24?,25-,26?/m1/s1.
What are the key properties of (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione?
(6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione has a molecular weight of 525.60 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2R)-butan-2-yl]-1-[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 71248100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).