2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide

C18H33N3O — CID 119831249

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCCN1CCCCCC1
InChIInChI=1S/C18H33N3O/c22-18(14-15-12-16-6-7-17(13-15)20-16)19-8-5-11-21-9-3-1-2-4-10-21/h15-17,20H,1-14H2,(H,19,22)
InChIKeyWJAIOGFORIBOFI-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.29
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide (PubChem CID 119831249) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
PubChem CID119831249
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCCN1CCCCCC1
InChIInChI=1S/C18H33N3O/c22-18(14-15-12-16-6-7-17(13-15)20-16)19-8-5-11-21-9-3-1-2-4-10-21/h15-17,20H,1-14H2,(H,19,22)
InChIKeyWJAIOGFORIBOFI-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79610567
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 79610570
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]acetamide
CID 119895441
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119851024
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 46295224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850948
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
CID 119391449
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
CID 119875446

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide (CID 119831249) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCCCN1CCCCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide?
The InChIKey is WJAIOGFORIBOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c22-18(14-15-12-16-6-7-17(13-15)20-16)19-8-5-11-21-9-3-1-2-4-10-21/h15-17,20H,1-14H2,(H,19,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide has a molecular weight of 307.48 g/mol, XLogP of 2.29, 6 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-[3-(azepan-1-yl)propyl]acetamide is sourced from PubChem (CID 119831249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).