azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate

C19H21F2N3O4 — CID 170155609

IUPACazetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate
SMILESO=C1CC[C@@H](c2c(F)cc(N(C(=O)OC3CNC3)C3CCC3)cc2F)C(=O)N1
InChIInChI=1S/C19H21F2N3O4/c20-14-6-11(7-15(21)17(14)13-4-5-16(25)23-18(13)26)24(10-2-1-3-10)19(27)28-12-8-22-9-12/h6-7,10,12-13,22H,1-5,8-9H2,(H,23,25,26)/t13-/m0/s1
InChIKeyDFRVGSOOFCMCKB-ZDUSSCGKSA-N
MW393.39 g/mol
LogP1.95
Rot. Bonds4

About azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate

azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate (PubChem CID 170155609) has the molecular formula C19H21F2N3O4 and a molecular weight of 393.39 g/mol. Its IUPAC name is azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate.

Molecular Properties

Compound Nameazetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate
PubChem CID170155609
Molecular FormulaC19H21F2N3O4
Molecular Weight393.39 g/mol
Exact Mass393.15
IUPAC Nameazetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate
SMILESO=C1CC[C@@H](c2c(F)cc(N(C(=O)OC3CNC3)C3CCC3)cc2F)C(=O)N1
InChIInChI=1S/C19H21F2N3O4/c20-14-6-11(7-15(21)17(14)13-4-5-16(25)23-18(13)26)24(10-2-1-3-10)19(27)28-12-8-22-9-12/h6-7,10,12-13,22H,1-5,8-9H2,(H,23,25,26)/t13-/m0/s1
InChIKeyDFRVGSOOFCMCKB-ZDUSSCGKSA-N
XLogP1.95
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate?
The IUPAC name of azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate (CID 170155609) is azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate.
What is the SMILES notation for azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate?
The canonical SMILES for azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate is O=C1CC[C@@H](c2c(F)cc(N(C(=O)OC3CNC3)C3CCC3)cc2F)C(=O)N1.
What is the InChIKey of azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate?
The InChIKey is DFRVGSOOFCMCKB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F2N3O4/c20-14-6-11(7-15(21)17(14)13-4-5-16(25)23-18(13)26)24(10-2-1-3-10)19(27)28-12-8-22-9-12/h6-7,10,12-13,22H,1-5,8-9H2,(H,23,25,26)/t13-/m0/s1.
What are the key properties of azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate?
azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate has a molecular weight of 393.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl N-cyclobutyl-N-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]carbamate is sourced from PubChem (CID 170155609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).