2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

C20H28N2O4 — CID 134000136

IUPAC2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C20H28N2O4/c1-15-5-7-18(8-6-15)26-16(2)19(23)22-9-3-4-17(14-22)20(24)21-10-12-25-13-11-21/h5-8,16-17H,3-4,9-14H2,1-2H3
InChIKeyXISRUTNDYQXIAC-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.86
Rot. Bonds4

About 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 134000136) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID134000136
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C20H28N2O4/c1-15-5-7-18(8-6-15)26-16(2)19(23)22-9-3-4-17(14-22)20(24)21-10-12-25-13-11-21/h5-8,16-17H,3-4,9-14H2,1-2H3
InChIKeyXISRUTNDYQXIAC-UHFFFAOYSA-N
XLogP1.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 62916587
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 119397025
[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506480
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 115966356
N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
CID 31006518
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (CID 134000136) is 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is Cc1ccc(OC(C)C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is XISRUTNDYQXIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-5-7-18(8-6-15)26-16(2)19(23)22-9-3-4-17(14-22)20(24)21-10-12-25-13-11-21/h5-8,16-17H,3-4,9-14H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 360.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 134000136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).