2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride

C19H37Cl2N3O — CID 119863526

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride
SMILESCC1CC(C)CN(CC(C)NC(=O)CC2CC3CCC(C2)N3)C1.Cl.Cl
InChIInChI=1S/C19H35N3O.2ClH/c1-13-6-14(2)11-22(10-13)12-15(3)20-19(23)9-16-7-17-4-5-18(8-16)21-17;;/h13-18,21H,4-12H2,1-3H3,(H,20,23);2*1H
InChIKeyUURDOWQTDOFIHL-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.23
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride (PubChem CID 119863526) has the molecular formula C19H37Cl2N3O and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride
PubChem CID119863526
Molecular FormulaC19H37Cl2N3O
Molecular Weight394.43 g/mol
Exact Mass393.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride
SMILESCC1CC(C)CN(CC(C)NC(=O)CC2CC3CCC(C2)N3)C1.Cl.Cl
InChIInChI=1S/C19H35N3O.2ClH/c1-13-6-14(2)11-22(10-13)12-15(3)20-19(23)9-16-7-17-4-5-18(8-16)21-17;;/h13-18,21H,4-12H2,1-3H3,(H,20,23);2*1H
InChIKeyUURDOWQTDOFIHL-UHFFFAOYSA-N
XLogP3.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 79607442
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-methylsulfanylpropan-2-yl]acetamide
CID 124592903
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 79614755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119851024
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 119863481
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119863555
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119863559
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737591

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride (CID 119863526) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride is CC1CC(C)CN(CC(C)NC(=O)CC2CC3CCC(C2)N3)C1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride?
The InChIKey is UURDOWQTDOFIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O.2ClH/c1-13-6-14(2)11-22(10-13)12-15(3)20-19(23)9-16-7-17-4-5-18(8-16)21-17;;/h13-18,21H,4-12H2,1-3H3,(H,20,23);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride has a molecular weight of 394.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119863526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).