2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone

C19H32N4O3 — CID 119834264

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CC2CCC(C1)N2)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H32N4O3/c24-18(13-15-11-16-1-2-17(12-15)20-16)22-5-3-21(4-6-22)14-19(25)23-7-9-26-10-8-23/h15-17,20H,1-14H2
InChIKeyWADYQSHJFFKZFM-UHFFFAOYSA-N
MW364.49 g/mol
LogP-0.09
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone (PubChem CID 119834264) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
PubChem CID119834264
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CC2CCC(C1)N2)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H32N4O3/c24-18(13-15-11-16-1-2-17(12-15)20-16)22-5-3-21(4-6-22)14-19(25)23-7-9-26-10-8-23/h15-17,20H,1-14H2
InChIKeyWADYQSHJFFKZFM-UHFFFAOYSA-N
XLogP-0.09
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone (CID 119834264) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone is O=C(CC1CC2CCC(C1)N2)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The InChIKey is WADYQSHJFFKZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c24-18(13-15-11-16-1-2-17(12-15)20-16)22-5-3-21(4-6-22)14-19(25)23-7-9-26-10-8-23/h15-17,20H,1-14H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone has a molecular weight of 364.49 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119834264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).