2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C18H32N4O3 — CID 55409375

IUPAC2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC1CCCCN1C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H32N4O3/c1-16-4-2-3-5-22(16)18(24)15-20-8-6-19(7-9-20)14-17(23)21-10-12-25-13-11-21/h16H,2-15H2,1H3
InChIKeyYTFOAKWYUKDXBF-UHFFFAOYSA-N
MW352.48 g/mol
LogP-0.14
Rot. Bonds4

About 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 55409375) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID55409375
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC1CCCCN1C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H32N4O3/c1-16-4-2-3-5-22(16)18(24)15-20-8-6-19(7-9-20)14-17(23)21-10-12-25-13-11-21/h16H,2-15H2,1H3
InChIKeyYTFOAKWYUKDXBF-UHFFFAOYSA-N
XLogP-0.14
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

Morpholinium, 4,4'-(1,4-piperazinediylbis(1-oxopropylene))bis(4-methyl-, diiodide
CID 199521
Morpholinium, 4-methyl-4-(1-methyl-2-(4-(3-(4-methylmorpholinium-4-yl)-1-oxopropyl)-1-piperazinyl)-2-oxoethyl)-, diiodide
CID 24840361
1-(4-Acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 56802300
2-[Cyclohexyl(methyl)amino]-1-morpholin-4-ylethanone
CID 47006665
2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
2-(2-Ethylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074713
1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone
CID 141160123
N,N-dicyclohexyl-2-morpholin-4-ylacetamide;hydrochloride
CID 2848395
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]ethanone
CID 121262
2-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121529
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199522
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 1439625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 55409375) is 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone is CC1CCCCN1C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is YTFOAKWYUKDXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-16-4-2-3-5-22(16)18(24)15-20-8-6-19(7-9-20)14-17(23)21-10-12-25-13-11-21/h16H,2-15H2,1H3.
What are the key properties of 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 352.48 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 55409375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).