2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride

C21H33Cl2N3O2 — CID 119884229

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
SMILESCOc1cccc(N2CCCC(NC(=O)CC3CC4CCC(C3)N4)C2)c1.Cl.Cl
InChIInChI=1S/C21H31N3O2.2ClH/c1-26-20-6-2-5-19(13-20)24-9-3-4-18(14-24)23-21(25)12-15-10-16-7-8-17(11-15)22-16;;/h2,5-6,13,15-18,22H,3-4,7-12,14H2,1H3,(H,23,25);2*1H
InChIKeyXKJGFENLOHTJEM-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.54
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride (PubChem CID 119884229) has the molecular formula C21H33Cl2N3O2 and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
PubChem CID119884229
Molecular FormulaC21H33Cl2N3O2
Molecular Weight430.42 g/mol
Exact Mass429.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
SMILESCOc1cccc(N2CCCC(NC(=O)CC3CC4CCC(C3)N4)C2)c1.Cl.Cl
InChIInChI=1S/C21H31N3O2.2ClH/c1-26-20-6-2-5-19(13-20)24-9-3-4-18(14-24)23-21(25)12-15-10-16-7-8-17(11-15)22-16;;/h2,5-6,13,15-18,22H,3-4,7-12,14H2,1H3,(H,23,25);2*1H
InChIKeyXKJGFENLOHTJEM-UHFFFAOYSA-N
XLogP3.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
CID 119888772
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 119871026
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 119871027
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636997
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884239
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884221
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride (CID 119884229) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride is COc1cccc(N2CCCC(NC(=O)CC3CC4CCC(C3)N4)C2)c1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride?
The InChIKey is XKJGFENLOHTJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.2ClH/c1-26-20-6-2-5-19(13-20)24-9-3-4-18(14-24)23-21(25)12-15-10-16-7-8-17(11-15)22-16;;/h2,5-6,13,15-18,22H,3-4,7-12,14H2,1H3,(H,23,25);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride has a molecular weight of 430.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119884229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).