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

C19H34N4O3 — CID 55473989

IUPAC1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)CCO1
InChIInChI=1S/C19H34N4O3/c1-17-14-23(12-13-26-17)19(25)16-21-10-8-20(9-11-21)15-18(24)22-6-4-2-3-5-7-22/h17H,2-16H2,1H3
InChIKeyLIEDXNGFINYHLA-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.25
Rot. Bonds4

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

1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone (PubChem CID 55473989) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone
PubChem CID55473989
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)CCO1
InChIInChI=1S/C19H34N4O3/c1-17-14-23(12-13-26-17)19(25)16-21-10-8-20(9-11-21)15-18(24)22-6-4-2-3-5-7-22/h17H,2-16H2,1H3
InChIKeyLIEDXNGFINYHLA-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 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-Ethylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074713
2-(4-methyl-1,4-diazepan-1-yl)-1-[(2S)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 171358951
2-azepan-1-yl-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide
CID 56879289
2-(4-Methoxypiperidin-1-yl)-1-morpholin-4-ylethanone
CID 52364601
1-Morpholin-4-yl-2-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 68267292
2-(Azepan-1-yl)-1-morpholin-4-ylethanone;ethane
CID 143550802
Ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one
CID 156707629
2-[2,6-Dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170361677
1-(4-Ethylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 170372995
N-methyl-N-(2-propan-2-yloxyethyl)-2-(4-propan-2-yloxypiperidin-1-yl)acetamide
CID 172511115
2-Morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
CID 176777461
2-(2,6-dimethylmorpholin-4-yl)-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
CID 6499050

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone (CID 55473989) is 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone is CC1CN(C(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)CCO1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
The InChIKey is LIEDXNGFINYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-17-14-23(12-13-26-17)19(25)16-21-10-8-20(9-11-21)15-18(24)22-6-4-2-3-5-7-22/h17H,2-16H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone 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 1-(azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55473989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).