(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one

C15H22N2O2 — CID 59325114

IUPAC(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
SMILESN[C@@H](CCc1ccccc1)CC(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O2/c16-14(7-6-13-4-2-1-3-5-13)12-15(18)17-8-10-19-11-9-17/h1-5,14H,6-12,16H2/t14-/m0/s1
InChIKeyYGFJXPLZKCFBIX-AWEZNQCLSA-N
MW262.35 g/mol
LogP1.20
Rot. Bonds5

About (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one

(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one (PubChem CID 59325114) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one.

Molecular Properties

Compound Name(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
PubChem CID59325114
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
SMILESN[C@@H](CCc1ccccc1)CC(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O2/c16-14(7-6-13-4-2-1-3-5-13)12-15(18)17-8-10-19-11-9-17/h1-5,14H,6-12,16H2/t14-/m0/s1
InChIKeyYGFJXPLZKCFBIX-AWEZNQCLSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
2-(2-morpholin-4-yl-2-oxoethyl)sulfinyl-4-phenylbutanoic acid
CID 123101724
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
2-amino-4-morpholin-4-yl-4-oxo-N-[4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]butanamide
CID 174050996
4-[1-[(3R)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749494
4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749504
(2S)-2-amino-4-morpholin-4-yl-4-oxo-N-[(1R)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]butanamide;hydrochloride
CID 168919976
ethyl 3-morpholin-4-yl-5-phenylpentanoate
CID 64528218
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one?
The IUPAC name of (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one (CID 59325114) is (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one.
What is the SMILES notation for (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one?
The canonical SMILES for (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one is N[C@@H](CCc1ccccc1)CC(=O)N1CCOCC1.
What is the InChIKey of (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one?
The InChIKey is YGFJXPLZKCFBIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(7-6-13-4-2-1-3-5-13)12-15(18)17-8-10-19-11-9-17/h1-5,14H,6-12,16H2/t14-/m0/s1.
What are the key properties of (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one?
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one is sourced from PubChem (CID 59325114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).