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

C18H30N4O4 — CID 55496719

IUPAC1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)CN2CCCCCC2=O)CC1
InChIInChI=1S/C18H30N4O4/c23-16-4-2-1-3-5-22(16)15-18(25)21-8-6-20(7-9-21)17(24)14-19-10-12-26-13-11-19/h1-15H2
InChIKeyUQGUCWITIVJWPS-UHFFFAOYSA-N
MW366.46 g/mol
LogP-0.61
Rot. Bonds4

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

1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one (PubChem CID 55496719) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one
PubChem CID55496719
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)CN2CCCCCC2=O)CC1
InChIInChI=1S/C18H30N4O4/c23-16-4-2-1-3-5-22(16)15-18(25)21-8-6-20(7-9-21)17(24)14-19-10-12-26-13-11-19/h1-15H2
InChIKeyUQGUCWITIVJWPS-UHFFFAOYSA-N
XLogP-0.61
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-Di(morpholin-4-yl)hexane-1,6-dione
CID 223658
2-(Morpholine-4-carbonyl)piperidine-1-carbaldehyde
CID 20394166
1-[2-(Morpholin-4-yl)-2-oxoethyl]azepan-2-one
CID 60635845
(1-Ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
2,6-Diisocyano-1,7-dimorpholin-4-ylheptane-1,7-dione
CID 11360025
(2S)-2-(morpholine-4-carbonyl)piperidine-1-carbaldehyde
CID 44191167
1-Morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione
CID 47039496
1-[4-(2-Morpholin-4-ylacetyl)piperazin-1-yl]hexan-1-one
CID 52374295
2-[3-(Azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 53550430
N-cyclopropyl-N-ethyl-2-[2-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 53566612
N,N-diethyl-2-[2-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 53575589
[1-(2-Methoxyethyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 53586220

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one (CID 55496719) is 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one is O=C(CN1CCOCC1)N1CCN(C(=O)CN2CCCCCC2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one?
The InChIKey is UQGUCWITIVJWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c23-16-4-2-1-3-5-22(16)15-18(25)21-8-6-20(7-9-21)17(24)14-19-10-12-26-13-11-19/h1-15H2.
What are the key properties of 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one?
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one has a molecular weight of 366.46 g/mol, XLogP of -0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 55496719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).