tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate

C19H26N2O5 — CID 95178815

IUPACtert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1
InChIInChI=1S/C19H26N2O5/c1-19(2,3)26-18(23)20-13-6-5-9-21(12-13)17(22)14-7-4-8-15-16(14)25-11-10-24-15/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyDGXUIFQVSFODEE-CYBMUJFWSA-N
MW362.43 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate (PubChem CID 95178815) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate
PubChem CID95178815
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nametert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1
InChIInChI=1S/C19H26N2O5/c1-19(2,3)26-18(23)20-13-6-5-9-21(12-13)17(22)14-7-4-8-15-16(14)25-11-10-24-15/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyDGXUIFQVSFODEE-CYBMUJFWSA-N
XLogP2.59
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate (CID 95178815) is tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is DGXUIFQVSFODEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-19(2,3)26-18(23)20-13-6-5-9-21(12-13)17(22)14-7-4-8-15-16(14)25-11-10-24-15/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 362.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 95178815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).