1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone

C18H32N4O3 — CID 55409351

IUPAC1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(=O)N2CCOCC2)CC1)N1CCCCCC1
InChIInChI=1S/C18H32N4O3/c23-17(21-5-3-1-2-4-6-21)15-19-7-9-20(10-8-19)16-18(24)22-11-13-25-14-12-22/h1-16H2
InChIKeyXYARNHZWCJWQMA-UHFFFAOYSA-N
MW352.48 g/mol
LogP-0.13
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone (PubChem CID 55409351) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
PubChem CID55409351
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(=O)N2CCOCC2)CC1)N1CCCCCC1
InChIInChI=1S/C18H32N4O3/c23-17(21-5-3-1-2-4-6-21)15-19-7-9-20(10-8-19)16-18(24)22-11-13-25-14-12-22/h1-16H2
InChIKeyXYARNHZWCJWQMA-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[4-(4-Morpholinylcarbonyl)-1-piperazinyl]carbonyl}azepane
CID 2238616
1-(4-Fluoropiperidin-1-yl)-2-morpholin-4-ylethanone
CID 172434889
3-Morpholin-4-ylhexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
CID 333696
3-(2-Morpholin-4-ylethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
CID 334616
3-(3-(4-Morpholinyl)propyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
CID 334617
2-morpholin-4-yl-N-[6-(2-morpholin-4-ylacetylamino)hexyl]acetamide
CID 3996774
2-(4-Fluoropiperidin-1-yl)-1-(morpholin-4-yl)ethan-1-one
CID 171704822
2-Morpholin-4-yl-1-piperidin-1-ylethanone
CID 14531601
1-Morpholin-4-yl-2-piperidin-1-ylethanone
CID 21884065
1-Morpholin-4-yl-2-piperidin-1-ylethane-1,2-dione
CID 45587209
1-(2-Methylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 91029700
2-(Azepan-1-yl)-1-morpholin-4-ylethanone;ethane
CID 143550802

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone (CID 55409351) is 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The InChIKey is XYARNHZWCJWQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c23-17(21-5-3-1-2-4-6-21)15-19-7-9-20(10-8-19)16-18(24)22-11-13-25-14-12-22/h1-16H2.
What are the key properties of 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone has a molecular weight of 352.48 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55409351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).