1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone

C17H22N4O2 — CID 42395968

IUPAC1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c22-17(12-21-14-18-13-19-21)20-9-10-23-16(11-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12H2/t16-/m0/s1
InChIKeyJWIYXTFROOWBGV-INIZCTEOSA-N
MW314.39 g/mol
LogP1.53
Rot. Bonds6

About 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 42395968) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID42395968
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c22-17(12-21-14-18-13-19-21)20-9-10-23-16(11-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12H2/t16-/m0/s1
InChIKeyJWIYXTFROOWBGV-INIZCTEOSA-N
XLogP1.53
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
3-(1,2-oxazolidin-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 42147501
1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 92632843
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone
CID 42508590
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
3-(oxazinan-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489234
(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 92633456

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 42395968) is 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is JWIYXTFROOWBGV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(12-21-14-18-13-19-21)20-9-10-23-16(11-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12H2/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 42395968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).