4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one

C16H23N3O3 — CID 129300076

IUPAC4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one
SMILESNCC1CN(CCOc2ccc(N3CCOCC3=O)cc2)C1
InChIInChI=1S/C16H23N3O3/c17-9-13-10-18(11-13)5-8-22-15-3-1-14(2-4-15)19-6-7-21-12-16(19)20/h1-4,13H,5-12,17H2
InChIKeyCYRXGSJOSVJVLF-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.32
Rot. Bonds6

About 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one

4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one (PubChem CID 129300076) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one
PubChem CID129300076
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one
SMILESNCC1CN(CCOc2ccc(N3CCOCC3=O)cc2)C1
InChIInChI=1S/C16H23N3O3/c17-9-13-10-18(11-13)5-8-22-15-3-1-14(2-4-15)19-6-7-21-12-16(19)20/h1-4,13H,5-12,17H2
InChIKeyCYRXGSJOSVJVLF-UHFFFAOYSA-N
XLogP0.32
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 123323999
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
4-[4-(2-morpholin-4-ylethoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride
CID 3053382
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
CID 112514915
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione
CID 61312500
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;(E)-but-2-enedioic acid
CID 71548890
4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one
CID 152799530
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one (CID 129300076) is 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one is NCC1CN(CCOc2ccc(N3CCOCC3=O)cc2)C1.
What is the InChIKey of 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one?
The InChIKey is CYRXGSJOSVJVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c17-9-13-10-18(11-13)5-8-22-15-3-1-14(2-4-15)19-6-7-21-12-16(19)20/h1-4,13H,5-12,17H2.
What are the key properties of 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one?
4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one has a molecular weight of 305.38 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one is sourced from PubChem (CID 129300076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).