spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate

C24H27F2N3O5 — CID 171541322

IUPACspiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate
SMILESO=C1CC[C@@H](c2c(F)cc(N3CC[C@@H](NC(=O)OCC4CC5(CCC5)C4)C3=O)cc2F)C(=O)N1
InChIInChI=1S/C24H27F2N3O5/c25-16-8-14(9-17(26)20(16)15-2-3-19(30)28-21(15)31)29-7-4-18(22(29)32)27-23(33)34-12-13-10-24(11-13)5-1-6-24/h8-9,13,15,18H,1-7,10-12H2,(H,27,33)(H,28,30,31)/t15-,18+/m0/s1
InChIKeyPIAJGJHJMFNGKL-MAUKXSAKSA-N
MW475.49 g/mol
LogP2.90
Rot. Bonds5

About spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate

spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 171541322) has the molecular formula C24H27F2N3O5 and a molecular weight of 475.49 g/mol. Its IUPAC name is spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namespiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID171541322
Molecular FormulaC24H27F2N3O5
Molecular Weight475.49 g/mol
Exact Mass475.19
IUPAC Namespiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate
SMILESO=C1CC[C@@H](c2c(F)cc(N3CC[C@@H](NC(=O)OCC4CC5(CCC5)C4)C3=O)cc2F)C(=O)N1
InChIInChI=1S/C24H27F2N3O5/c25-16-8-14(9-17(26)20(16)15-2-3-19(30)28-21(15)31)29-7-4-18(22(29)32)27-23(33)34-12-13-10-24(11-13)5-1-6-24/h8-9,13,15,18H,1-7,10-12H2,(H,27,33)(H,28,30,31)/t15-,18+/m0/s1
InChIKeyPIAJGJHJMFNGKL-MAUKXSAKSA-N
XLogP2.90
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 176869474
3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 171541033
[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl] N-cyclopropylcarbamate
CID 170155051
2-methylpentyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541076
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
CID 166947439
ethyl 4-[[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161184
1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 170107094
3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
CID 171541249
[1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate
CID 175893655
[(3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541378
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
CID 170129880
3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
CID 171541260

Frequently Asked Questions

What is the IUPAC name of spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate (CID 171541322) is spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate is O=C1CC[C@@H](c2c(F)cc(N3CC[C@@H](NC(=O)OCC4CC5(CCC5)C4)C3=O)cc2F)C(=O)N1.
What is the InChIKey of spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is PIAJGJHJMFNGKL-MAUKXSAKSA-N. The full InChI is InChI=1S/C24H27F2N3O5/c25-16-8-14(9-17(26)20(16)15-2-3-19(30)28-21(15)31)29-7-4-18(22(29)32)27-23(33)34-12-13-10-24(11-13)5-1-6-24/h8-9,13,15,18H,1-7,10-12H2,(H,27,33)(H,28,30,31)/t15-,18+/m0/s1.
What are the key properties of spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate?
spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 475.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.3]heptan-2-ylmethyl N-[(3R)-1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 171541322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).