tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate

C20H27NO5 — CID 67011014

IUPACtert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(C3COC(=O)C3)cc2)CC1
InChIInChI=1S/C20H27NO5/c1-20(2,3)26-19(23)21-10-8-17(9-11-21)25-16-6-4-14(5-7-16)15-12-18(22)24-13-15/h4-7,15,17H,8-13H2,1-3H3
InChIKeyNXUGIHGIJMBDEM-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.50
Rot. Bonds3

About tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate

tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate (PubChem CID 67011014) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate
PubChem CID67011014
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Nametert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(C3COC(=O)C3)cc2)CC1
InChIInChI=1S/C20H27NO5/c1-20(2,3)26-19(23)21-10-8-17(9-11-21)25-16-6-4-14(5-7-16)15-12-18(22)24-13-15/h4-7,15,17H,8-13H2,1-3H3
InChIKeyNXUGIHGIJMBDEM-UHFFFAOYSA-N
XLogP3.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413
tert-butyl 4-(4-bromosulfanylphenoxy)piperidine-1-carboxylate
CID 18700263
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
tert-butyl 4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]piperidine-1-carboxylate
CID 142898406
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
2-methoxy-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
CID 70065571
1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690416
tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate;4-(4-nitrophenoxy)piperidine
CID 161229306
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate (CID 67011014) is tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(C3COC(=O)C3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate?
The InChIKey is NXUGIHGIJMBDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-20(2,3)26-19(23)21-10-8-17(9-11-21)25-16-6-4-14(5-7-16)15-12-18(22)24-13-15/h4-7,15,17H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(5-oxooxolan-3-yl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 67011014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).