tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate

C21H30N2O4 — CID 168901562

IUPACtert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate
SMILESC=Cc1ccnc(OC2CC(OC3CCN(C(=O)OC(C)(C)C)CC3)C2)c1
InChIInChI=1S/C21H30N2O4/c1-5-15-6-9-22-19(12-15)26-18-13-17(14-18)25-16-7-10-23(11-8-16)20(24)27-21(2,3)4/h5-6,9,12,16-18H,1,7-8,10-11,13-14H2,2-4H3
InChIKeyVWYSGBGALLDZLP-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.05
Rot. Bonds5

About tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate

tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate (PubChem CID 168901562) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate
PubChem CID168901562
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Nametert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate
SMILESC=Cc1ccnc(OC2CC(OC3CCN(C(=O)OC(C)(C)C)CC3)C2)c1
InChIInChI=1S/C21H30N2O4/c1-5-15-6-9-22-19(12-15)26-18-13-17(14-18)25-16-7-10-23(11-8-16)20(24)27-21(2,3)4/h5-6,9,12,16-18H,1,7-8,10-11,13-14H2,2-4H3
InChIKeyVWYSGBGALLDZLP-UHFFFAOYSA-N
XLogP4.05
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[4-[3-[(4-bromo-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carbonyl]piperidine-1-carboxylate
CID 146316604
tert-butyl 4-[1-[4-[3-[(4-bromo-2-pyridinyl)oxy]cyclobutyl]oxypiperidin-1-yl]cyclopropyl]piperidine-1-carboxylate
CID 168903586
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
tert-butyl 4-[3-(2-methylsulfanylpyrimidin-5-yl)oxycyclobutyl]oxypiperidine-1-carboxylate
CID 168896604
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl 4-[6-ethenyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67954436
tert-butyl 4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 67449879
tert-butyl (3S)-3-[[2-(hydroxymethyl)-4-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 166114212
tert-butyl 8-[2-(3-hydroxycyclobutyl)oxy-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 139530896
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate (CID 168901562) is tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate is C=Cc1ccnc(OC2CC(OC3CCN(C(=O)OC(C)(C)C)CC3)C2)c1.
What is the InChIKey of tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate?
The InChIKey is VWYSGBGALLDZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-5-15-6-9-22-19(12-15)26-18-13-17(14-18)25-16-7-10-23(11-8-16)20(24)27-21(2,3)4/h5-6,9,12,16-18H,1,7-8,10-11,13-14H2,2-4H3.
What are the key properties of tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate?
tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[(4-ethenyl-2-pyridinyl)oxy]cyclobutyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 168901562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).