[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone

C18H27N3O3 — CID 110638166

IUPAC[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(OCCN2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N3O3/c1-16-2-4-17(5-3-16)24-15-10-19-6-8-20(9-7-19)18(22)21-11-13-23-14-12-21/h2-5H,6-15H2,1H3
InChIKeyYEBVAADSNSYLLF-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.44
Rot. Bonds4

About [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 110638166) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID110638166
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(OCCN2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N3O3/c1-16-2-4-17(5-3-16)24-15-10-19-6-8-20(9-7-19)18(22)21-11-13-23-14-12-21/h2-5H,6-15H2,1H3
InChIKeyYEBVAADSNSYLLF-UHFFFAOYSA-N
XLogP1.44
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 157308320
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1,3-benzodioxol-5-yl-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638157
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10389448
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534609
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 110638166) is [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(OCCN2CCN(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is YEBVAADSNSYLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-16-2-4-17(5-3-16)24-15-10-19-6-8-20(9-7-19)18(22)21-11-13-23-14-12-21/h2-5H,6-15H2,1H3.
What are the key properties of [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 333.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110638166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).