1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one

C21H26N2O3 — CID 26410210

IUPAC1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one
SMILESO=C(C#Cc1ccccc1)N1CCC[C@H](CCC(=O)N2CCOCC2)C1
InChIInChI=1S/C21H26N2O3/c24-20(22-13-15-26-16-14-22)11-9-19-7-4-12-23(17-19)21(25)10-8-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7,9,11-17H2/t19-/m1/s1
InChIKeyARNXKZUQWDZLNU-LJQANCHMSA-N
MW354.45 g/mol
LogP1.92
Rot. Bonds3

About 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one

1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one (PubChem CID 26410210) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one
PubChem CID26410210
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one
SMILESO=C(C#Cc1ccccc1)N1CCC[C@H](CCC(=O)N2CCOCC2)C1
InChIInChI=1S/C21H26N2O3/c24-20(22-13-15-26-16-14-22)11-9-19-7-4-12-23(17-19)21(25)10-8-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7,9,11-17H2/t19-/m1/s1
InChIKeyARNXKZUQWDZLNU-LJQANCHMSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-phenylprop-2-ynoyl)piperidin-3-yl]acetic acid
CID 62690231
(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 95093847
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45229164
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
3-[(3R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 42453478
3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25452719
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
CID 66433018
3-[(3S)-1-(2,5-dimethoxybenzoyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 25453434
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081
3-[(3R)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26327720
[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
CID 122155789
3-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45192917

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one (CID 26410210) is 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one is O=C(C#Cc1ccccc1)N1CCC[C@H](CCC(=O)N2CCOCC2)C1.
What is the InChIKey of 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one?
The InChIKey is ARNXKZUQWDZLNU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-20(22-13-15-26-16-14-22)11-9-19-7-4-12-23(17-19)21(25)10-8-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7,9,11-17H2/t19-/m1/s1.
What are the key properties of 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one?
1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propan-1-one is sourced from PubChem (CID 26410210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).