2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride

C19H36Cl2N4O2 — CID 119853532

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride
SMILESCCCNC(=O)CN1CCC(NC(=O)CC2CC3CCC(C2)N3)CC1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-2-7-20-19(25)13-23-8-5-15(6-9-23)22-18(24)12-14-10-16-3-4-17(11-14)21-16;;/h14-17,21H,2-13H2,1H3,(H,20,25)(H,22,24);2*1H
InChIKeyLMPIEGQGBZNBDB-UHFFFAOYSA-N
MW423.43 g/mol
LogP1.86
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride (PubChem CID 119853532) has the molecular formula C19H36Cl2N4O2 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride
PubChem CID119853532
Molecular FormulaC19H36Cl2N4O2
Molecular Weight423.43 g/mol
Exact Mass422.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride
SMILESCCCNC(=O)CN1CCC(NC(=O)CC2CC3CCC(C2)N3)CC1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-2-7-20-19(25)13-23-8-5-15(6-9-23)22-18(24)12-14-10-16-3-4-17(11-14)21-16;;/h14-17,21H,2-13H2,1H3,(H,20,25)(H,22,24);2*1H
InChIKeyLMPIEGQGBZNBDB-UHFFFAOYSA-N
XLogP1.86
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride with MolForge

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride
CID 119840334
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 119820661
N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
CID 119458518
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 91659753
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cycloheptylacetamide
CID 79607418
2-[4-[[2-[cyclopropyl(methyl)amino]acetyl]amino]piperidin-1-yl]-N-propylacetamide
CID 60504083
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119853534
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876868
2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 64617968
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 79610800
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 119853535
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]acetamide
CID 119895441

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride (CID 119853532) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride is CCCNC(=O)CN1CCC(NC(=O)CC2CC3CCC(C2)N3)CC1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride?
The InChIKey is LMPIEGQGBZNBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.2ClH/c1-2-7-20-19(25)13-23-8-5-15(6-9-23)22-18(24)12-14-10-16-3-4-17(11-14)21-16;;/h14-17,21H,2-13H2,1H3,(H,20,25)(H,22,24);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 423.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 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-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119853532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).