tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate

C20H35N3O5 — CID 110613853

IUPACtert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H35N3O5/c1-14(2)16(21-19(26)28-20(3,4)5)18(25)22-8-6-15(7-9-22)17(24)23-10-12-27-13-11-23/h14-16H,6-13H2,1-5H3,(H,21,26)
InChIKeyCSWGTBBLWPYOGY-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.63
Rot. Bonds4

About tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate

tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 110613853) has the molecular formula C20H35N3O5 and a molecular weight of 397.52 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID110613853
Molecular FormulaC20H35N3O5
Molecular Weight397.52 g/mol
Exact Mass397.26
IUPAC Nametert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H35N3O5/c1-14(2)16(21-19(26)28-20(3,4)5)18(25)22-8-6-15(7-9-22)17(24)23-10-12-27-13-11-23/h14-16H,6-13H2,1-5H3,(H,21,26)
InChIKeyCSWGTBBLWPYOGY-UHFFFAOYSA-N
XLogP1.63
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 110613853) is tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is CSWGTBBLWPYOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O5/c1-14(2)16(21-19(26)28-20(3,4)5)18(25)22-8-6-15(7-9-22)17(24)23-10-12-27-13-11-23/h14-16H,6-13H2,1-5H3,(H,21,26).
What are the key properties of tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 397.52 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 110613853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).