tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate

C25H37N3O4 — CID 150972693

IUPACtert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ccc(C3(CN4CCOCC4)CCC3)cc2)C1=O
InChIInChI=1S/C25H37N3O4/c1-24(2,3)32-23(30)26-21-6-4-13-28(22(21)29)20-9-7-19(8-10-20)25(11-5-12-25)18-27-14-16-31-17-15-27/h7-10,21H,4-6,11-18H2,1-3H3,(H,26,30)
InChIKeyLOLFZRTWJVJSEF-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate

tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate (PubChem CID 150972693) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate
PubChem CID150972693
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Nametert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ccc(C3(CN4CCOCC4)CCC3)cc2)C1=O
InChIInChI=1S/C25H37N3O4/c1-24(2,3)32-23(30)26-21-6-4-13-28(22(21)29)20-9-7-19(8-10-20)25(11-5-12-25)18-27-14-16-31-17-15-27/h7-10,21H,4-6,11-18H2,1-3H3,(H,26,30)
InChIKeyLOLFZRTWJVJSEF-UHFFFAOYSA-N
XLogP3.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate (CID 150972693) is tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(c2ccc(C3(CN4CCOCC4)CCC3)cc2)C1=O.
What is the InChIKey of tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate?
The InChIKey is LOLFZRTWJVJSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-24(2,3)32-23(30)26-21-6-4-13-28(22(21)29)20-9-7-19(8-10-20)25(11-5-12-25)18-27-14-16-31-17-15-27/h7-10,21H,4-6,11-18H2,1-3H3,(H,26,30).
What are the key properties of tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate?
tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate has a molecular weight of 443.59 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 150972693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).