N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide

C19H26N6O — CID 91637708

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCC1CCCN2CCCCC12)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C19H26N6O/c26-19(16-8-6-15(7-9-16)13-25-14-21-22-23-25)20-12-17-4-3-11-24-10-2-1-5-18(17)24/h6-9,14,17-18H,1-5,10-13H2,(H,20,26)
InChIKeyFIOPSNGSGPHISC-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.72
Rot. Bonds5

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 91637708) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID91637708
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCC1CCCN2CCCCC12)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C19H26N6O/c26-19(16-8-6-15(7-9-16)13-25-14-21-22-23-25)20-12-17-4-3-11-24-10-2-1-5-18(17)24/h6-9,14,17-18H,1-5,10-13H2,(H,20,26)
InChIKeyFIOPSNGSGPHISC-UHFFFAOYSA-N
XLogP1.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)benzamide
CID 129490785
N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 42189803
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-benzamidobenzamide
CID 163070461
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 124861903
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 163076007
N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 28733201
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-bromobenzamide
CID 11915088
N-[4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylcarbamoyl]phenyl]-4-phenylbenzamide
CID 71755117
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 162894157
N-[4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylcarbamoyl]phenyl]-5-bromopyridine-3-carboxamide
CID 71755148
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]benzamide
CID 163086944
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]benzamide
CID 71754552

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide (CID 91637708) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide is O=C(NCC1CCCN2CCCCC12)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is FIOPSNGSGPHISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19(16-8-6-15(7-9-16)13-25-14-21-22-23-25)20-12-17-4-3-11-24-10-2-1-5-18(17)24/h6-9,14,17-18H,1-5,10-13H2,(H,20,26).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 354.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 91637708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).