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

C19H34N4O3 — CID 55432659

IUPAC2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C19H34N4O3/c1-17(19(25)23-12-14-26-15-13-23)21-10-8-20(9-11-21)16-18(24)22-6-4-2-3-5-7-22/h17H,2-16H2,1H3
InChIKeyMBWCKGYRSQSENN-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.25
Rot. Bonds4

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

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 55432659) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID55432659
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C19H34N4O3/c1-17(19(25)23-12-14-26-15-13-23)21-10-8-20(9-11-21)16-18(24)22-6-4-2-3-5-7-22/h17H,2-16H2,1H3
InChIKeyMBWCKGYRSQSENN-UHFFFAOYSA-N
XLogP0.25
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
1-(4-Acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 56802300
7-Methyl-3-(4-morpholinyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
CID 334627
(2S)-N-cyclohexyl-N-methyl-2-morpholin-4-ylpropanamide
CID 93952063
1-(4-methylpiperazin-1-yl)-2-[(3S)-3-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 97803391
1-(4-Cyclopentylpiperazin-1-yl)-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 57442391
2-(4-Morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442411
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 57443142
2-[Methyl-(1-methylpiperidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 59011733
1-[2-(Morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 68299815
1-[2-(Morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 68299882
2-(2-Ethylpiperidin-1-yl)-1-morpholin-4-ylethanone
CID 78790994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 55432659) is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)N1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is MBWCKGYRSQSENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-17(19(25)23-12-14-26-15-13-23)21-10-8-20(9-11-21)16-18(24)22-6-4-2-3-5-7-22/h17H,2-16H2,1H3.
What are the key properties of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 366.51 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 55432659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).