2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride

C21H38Cl2N4O2 — CID 119876868

IUPAC2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1)NC1CCCCC1
InChIInChI=1S/C21H36N4O2.2ClH/c26-20(23-17-4-2-1-3-5-17)15-24-8-10-25(11-9-24)21(27)14-16-12-18-6-7-19(13-16)22-18;;/h16-19,22H,1-15H2,(H,23,26);2*1H
InChIKeyXLKVMYDVVCCTMT-UHFFFAOYSA-N
MW449.47 g/mol
LogP2.34
Rot. Bonds5

About 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride

2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride (PubChem CID 119876868) has the molecular formula C21H38Cl2N4O2 and a molecular weight of 449.47 g/mol. Its IUPAC name is 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
PubChem CID119876868
Molecular FormulaC21H38Cl2N4O2
Molecular Weight449.47 g/mol
Exact Mass448.24
IUPAC Name2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1)NC1CCCCC1
InChIInChI=1S/C21H36N4O2.2ClH/c26-20(23-17-4-2-1-3-5-17)15-24-8-10-25(11-9-24)21(27)14-16-12-18-6-7-19(13-16)22-18;;/h16-19,22H,1-15H2,(H,23,26);2*1H
InChIKeyXLKVMYDVVCCTMT-UHFFFAOYSA-N
XLogP2.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119836910
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cycloheptylacetamide
CID 79607418
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 119837500
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834264
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
1-(4-acetyl-1,4-diazepan-1-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79610796
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119853532
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838552
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79607933
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
The IUPAC name of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride (CID 119876868) is 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride is Cl.Cl.O=C(CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1)NC1CCCCC1.
What is the InChIKey of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
The InChIKey is XLKVMYDVVCCTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2.2ClH/c26-20(23-17-4-2-1-3-5-17)15-24-8-10-25(11-9-24)21(27)14-16-12-18-6-7-19(13-16)22-18;;/h16-19,22H,1-15H2,(H,23,26);2*1H.
What are the key properties of 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride has a molecular weight of 449.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride is sourced from PubChem (CID 119876868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).