8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide

C15H20N2O — CID 91101325

IUPAC8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESNC(=O)C12CCCC(CC1)N2Cc1ccccc1
InChIInChI=1S/C15H20N2O/c16-14(18)15-9-4-7-13(8-10-15)17(15)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,16,18)
InChIKeyQAXQLBURZZURCM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.06
Rot. Bonds3

About 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide

8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 91101325) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide
PubChem CID91101325
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESNC(=O)C12CCCC(CC1)N2Cc1ccccc1
InChIInChI=1S/C15H20N2O/c16-14(18)15-9-4-7-13(8-10-15)17(15)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,16,18)
InChIKeyQAXQLBURZZURCM-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 173148842
ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate
CID 54252728
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
ethyl 2-(7-benzyl-7-azabicyclo[2.2.1]heptan-1-yl)acetate
CID 10707427
8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride
CID 173494187
(1S,5R)-8-[(2R)-3-(ethylamino)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 173170281
3-amino-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936432
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate
CID 146158159
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide
CID 21441264

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide (CID 91101325) is 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide is NC(=O)C12CCCC(CC1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is QAXQLBURZZURCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-14(18)15-9-4-7-13(8-10-15)17(15)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,16,18).
What are the key properties of 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide?
8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 91101325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).