2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide

C11H18N6O — CID 79615311

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCc1nn[nH]n1
InChIInChI=1S/C11H18N6O/c18-11(12-6-10-14-16-17-15-10)5-7-3-8-1-2-9(4-7)13-8/h7-9,13H,1-6H2,(H,12,18)(H,14,15,16,17)
InChIKeyFKKQKFMRUQFRJG-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.26
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 79615311) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide
PubChem CID79615311
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCc1nn[nH]n1
InChIInChI=1S/C11H18N6O/c18-11(12-6-10-14-16-17-15-10)5-7-3-8-1-2-9(4-7)13-8/h7-9,13H,1-6H2,(H,12,18)(H,14,15,16,17)
InChIKeyFKKQKFMRUQFRJG-UHFFFAOYSA-N
XLogP-0.26
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-3-yl-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 62675815
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114181942
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251
2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 166316578
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891882
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide
CID 106175674
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
N-[(4-acetamidophenyl)methyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119700898
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide (CID 79615311) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide is O=C(CC1CC2CCC(C1)N2)NCc1nn[nH]n1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The InChIKey is FKKQKFMRUQFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c18-11(12-6-10-14-16-17-15-10)5-7-3-8-1-2-9(4-7)13-8/h7-9,13H,1-6H2,(H,12,18)(H,14,15,16,17).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 250.31 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 79615311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).