N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide

C15H18N6O — CID 119456565

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H18N6O/c22-15(18-12-7-10-5-6-11(8-12)17-10)13-3-1-2-4-14(13)21-9-16-19-20-21/h1-4,9-12,17H,5-8H2,(H,18,22)
InChIKeyYBQQOVAFQAGPOL-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.68
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 119456565) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID119456565
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H18N6O/c22-15(18-12-7-10-5-6-11(8-12)17-10)13-3-1-2-4-14(13)21-9-16-19-20-21/h1-4,9-12,17H,5-8H2,(H,18,22)
InChIKeyYBQQOVAFQAGPOL-UHFFFAOYSA-N
XLogP0.68
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 119457998
N-(2-methylcyclohexyl)-2-(tetrazol-1-yl)benzamide
CID 78789651
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(tetrazol-1-yl)benzamide
CID 4879166
N-[2-(aminomethyl)cyclopentyl]-2-(tetrazol-1-yl)benzamide
CID 119602087
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide
CID 24668840
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide
CID 119458117
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide
CID 119456900
5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(tetrazol-1-yl)benzamide
CID 29133006
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722
N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78828822

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide (CID 119456565) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide is O=C(NC1CC2CCC(C1)N2)c1ccccc1-n1cnnn1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is YBQQOVAFQAGPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c22-15(18-12-7-10-5-6-11(8-12)17-10)13-3-1-2-4-14(13)21-9-16-19-20-21/h1-4,9-12,17H,5-8H2,(H,18,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 298.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 119456565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).