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

C23H33N3O5 — CID 42884587

IUPACtert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C23H33N3O5/c1-23(2,3)31-22(29)24-19-8-6-17(7-9-19)15-20(27)26-10-4-5-18(16-26)21(28)25-11-13-30-14-12-25/h6-9,18H,4-5,10-16H2,1-3H3,(H,24,29)
InChIKeySIXUSIJBZINQEI-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.67
Rot. Bonds4

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

tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate (PubChem CID 42884587) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate
PubChem CID42884587
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Nametert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C23H33N3O5/c1-23(2,3)31-22(29)24-19-8-6-17(7-9-19)15-20(27)26-10-4-5-18(16-26)21(28)25-11-13-30-14-12-25/h6-9,18H,4-5,10-16H2,1-3H3,(H,24,29)
InChIKeySIXUSIJBZINQEI-UHFFFAOYSA-N
XLogP2.67
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate (CID 42884587) is tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
The InChIKey is SIXUSIJBZINQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-23(2,3)31-22(29)24-19-8-6-17(7-9-19)15-20(27)26-10-4-5-18(16-26)21(28)25-11-13-30-14-12-25/h6-9,18H,4-5,10-16H2,1-3H3,(H,24,29).
What are the key properties of tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate has a molecular weight of 431.53 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 42884587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).