piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate

C21H26F2N4O4 — CID 176869474

IUPACpiperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
SMILESO=C1CCC(c2c(F)cc(N3CC(NC(=O)OCN4CCCCC4)C3)cc2F)C(=O)N1
InChIInChI=1S/C21H26F2N4O4/c22-16-8-14(9-17(23)19(16)15-4-5-18(28)25-20(15)29)27-10-13(11-27)24-21(30)31-12-26-6-2-1-3-7-26/h8-9,13,15H,1-7,10-12H2,(H,24,30)(H,25,28,29)
InChIKeyYZOLBADTMAOGRN-UHFFFAOYSA-N
MW436.46 g/mol
LogP1.84
Rot. Bonds5

About piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate

piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate (PubChem CID 176869474) has the molecular formula C21H26F2N4O4 and a molecular weight of 436.46 g/mol. Its IUPAC name is piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Namepiperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
PubChem CID176869474
Molecular FormulaC21H26F2N4O4
Molecular Weight436.46 g/mol
Exact Mass436.19
IUPAC Namepiperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
SMILESO=C1CCC(c2c(F)cc(N3CC(NC(=O)OCN4CCCCC4)C3)cc2F)C(=O)N1
InChIInChI=1S/C21H26F2N4O4/c22-16-8-14(9-17(23)19(16)15-4-5-18(28)25-20(15)29)27-10-13(11-27)24-21(30)31-12-26-6-2-1-3-7-26/h8-9,13,15H,1-7,10-12H2,(H,24,30)(H,25,28,29)
InChIKeyYZOLBADTMAOGRN-UHFFFAOYSA-N
XLogP1.84
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541076
[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl] N-cyclopropylcarbamate
CID 170155051
[(3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541378
[1-[cyclopropyl(methyl)carbamoyl]azetidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541012
1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
CID 170155759
1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 170107094
[1-(3-methyl-2-pyridinyl)azetidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541146
3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
CID 171541260
[(E)-1-cyclopropylhex-3-en-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-N'-methylcarbamimidate
CID 171540940
ethyl 4-[[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161184
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
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
CID 166947439

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate?
The IUPAC name of piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate (CID 176869474) is piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate.
What is the SMILES notation for piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate?
The canonical SMILES for piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate is O=C1CCC(c2c(F)cc(N3CC(NC(=O)OCN4CCCCC4)C3)cc2F)C(=O)N1.
What is the InChIKey of piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate?
The InChIKey is YZOLBADTMAOGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O4/c22-16-8-14(9-17(23)19(16)15-4-5-18(28)25-20(15)29)27-10-13(11-27)24-21(30)31-12-26-6-2-1-3-7-26/h8-9,13,15H,1-7,10-12H2,(H,24,30)(H,25,28,29).
What are the key properties of piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate?
piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate has a molecular weight of 436.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 176869474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).