tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate

C15H27N3O4 — CID 53256233

IUPACtert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H27N3O4/c1-15(2,3)22-13(19)16-12-4-6-17(7-5-12)14(20)18-8-10-21-11-9-18/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyVUBQLAOJUWIHGA-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.43
Rot. Bonds1

About tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate (PubChem CID 53256233) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate
PubChem CID53256233
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Nametert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H27N3O4/c1-15(2,3)22-13(19)16-12-4-6-17(7-5-12)14(20)18-8-10-21-11-9-18/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyVUBQLAOJUWIHGA-UHFFFAOYSA-N
XLogP1.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate (CID 53256233) is tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is VUBQLAOJUWIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-15(2,3)22-13(19)16-12-4-6-17(7-5-12)14(20)18-8-10-21-11-9-18/h12H,4-11H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(morpholine-4-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 53256233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).