N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide

C15H18N6O — CID 119457998

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H18N6O/c22-15(18-13-7-11-3-4-12(8-13)17-11)10-1-5-14(6-2-10)21-9-16-19-20-21/h1-2,5-6,9,11-13,17H,3-4,7-8H2,(H,18,22)
InChIKeyTXUOGNVGRMRLKZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.68
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide (PubChem CID 119457998) 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)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide
PubChem CID119457998
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H18N6O/c22-15(18-13-7-11-3-4-12(8-13)17-11)10-1-5-14(6-2-10)21-9-16-19-20-21/h1-2,5-6,9,11-13,17H,3-4,7-8H2,(H,18,22)
InChIKeyTXUOGNVGRMRLKZ-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-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117
N-(3-methylcyclopentyl)-4-(tetrazol-1-yl)benzamide
CID 114550130
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide
CID 119456565
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
CID 580173
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide
CID 124851841
methyl (3S)-3-[[4-(tetrazol-1-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 95777987
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
CID 110279154
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide (CID 119457998) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide is O=C(NC1CC2CCC(C1)N2)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is TXUOGNVGRMRLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c22-15(18-13-7-11-3-4-12(8-13)17-11)10-1-5-14(6-2-10)21-9-16-19-20-21/h1-2,5-6,9,11-13,17H,3-4,7-8H2,(H,18,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(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)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 119457998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).