1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone

C18H29N3O4 — CID 109146746

IUPAC1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H29N3O4/c1-14(22)19-6-8-20(9-7-19)17(23)15-2-4-16(5-3-15)18(24)21-10-12-25-13-11-21/h15-16H,2-13H2,1H3
InChIKeyAQLFOFKJJSYPQB-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.34
Rot. Bonds2

About 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone

1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 109146746) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
PubChem CID109146746
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H29N3O4/c1-14(22)19-6-8-20(9-7-19)17(23)15-2-4-16(5-3-15)18(24)21-10-12-25-13-11-21/h15-16H,2-13H2,1H3
InChIKeyAQLFOFKJJSYPQB-UHFFFAOYSA-N
XLogP0.34
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone (CID 109146746) is 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CCC(C(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is AQLFOFKJJSYPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-14(22)19-6-8-20(9-7-19)17(23)15-2-4-16(5-3-15)18(24)21-10-12-25-13-11-21/h15-16H,2-13H2,1H3.
What are the key properties of 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone?
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109146746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).