tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate

C15H23N3O3 — CID 63787976

IUPACtert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)17-11-12-4-5-13(16-10-12)18-6-8-20-9-7-18/h4-5,10H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyVYFPESYMAAXGRV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.94
Rot. Bonds3

About tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate

tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate (PubChem CID 63787976) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
PubChem CID63787976
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)17-11-12-4-5-13(16-10-12)18-6-8-20-9-7-18/h4-5,10H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyVYFPESYMAAXGRV-UHFFFAOYSA-N
XLogP1.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate (CID 63787976) is tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate?
The InChIKey is VYFPESYMAAXGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)17-11-12-4-5-13(16-10-12)18-6-8-20-9-7-18/h4-5,10H,6-9,11H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate?
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 63787976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).