tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate

C22H30N2O5 — CID 166472074

IUPACtert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1ccc(OC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C22H30N2O5/c1-22(2,3)29-21(27)24-13-5-4-6-16(24)14-15-7-9-17(10-8-15)28-18-11-12-19(25)23-20(18)26/h7-10,16,18H,4-6,11-14H2,1-3H3,(H,23,25,26)
InChIKeyAXHWYBNHDJKGEH-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.20
Rot. Bonds4

About tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate

tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate (PubChem CID 166472074) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate
PubChem CID166472074
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Nametert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1ccc(OC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C22H30N2O5/c1-22(2,3)29-21(27)24-13-5-4-6-16(24)14-15-7-9-17(10-8-15)28-18-11-12-19(25)23-20(18)26/h7-10,16,18H,4-6,11-14H2,1-3H3,(H,23,25,26)
InChIKeyAXHWYBNHDJKGEH-UHFFFAOYSA-N
XLogP3.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]piperidine-1-carboxylate
CID 138481057
tert-butyl 2-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-1-carboxylate
CID 175986606
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate
CID 162470367
tert-butyl 2-[[4-(hydroxymethyl)anilino]methyl]piperidine-1-carboxylate
CID 106634321
tert-butyl 2-[(3-amino-4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 82279506
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2S)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 50905469
methyl 2-benzylazepane-1-carboxylate
CID 102314657

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate (CID 166472074) is tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1Cc1ccc(OC2CCC(=O)NC2=O)cc1.
What is the InChIKey of tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate?
The InChIKey is AXHWYBNHDJKGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-22(2,3)29-21(27)24-13-5-4-6-16(24)14-15-7-9-17(10-8-15)28-18-11-12-19(25)23-20(18)26/h7-10,16,18H,4-6,11-14H2,1-3H3,(H,23,25,26).
What are the key properties of tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate has a molecular weight of 402.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 166472074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).