azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone

C15H19N5O — CID 47006518

IUPACazocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1)N1CCCCCCC1
InChIInChI=1S/C15H19N5O/c21-15(19-10-4-2-1-3-5-11-19)13-6-8-14(9-7-13)20-12-16-17-18-20/h6-9,12H,1-5,10-11H2
InChIKeyBUAJUYGOLXZATR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.07
Rot. Bonds2

About azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone

azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 47006518) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID47006518
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Nameazocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1)N1CCCCCCC1
InChIInChI=1S/C15H19N5O/c21-15(19-10-4-2-1-3-5-11-19)13-6-8-14(9-7-13)20-12-16-17-18-20/h6-9,12H,1-5,10-11H2
InChIKeyBUAJUYGOLXZATR-UHFFFAOYSA-N
XLogP2.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 28935289
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
N-[2-(piperidine-1-carbonyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 35276684
[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 124852882
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 164696932
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
CID 47111544
[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119595353
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119397457
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 7500751

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone (CID 47006518) is azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2cnnn2)cc1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is BUAJUYGOLXZATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(19-10-4-2-1-3-5-11-19)13-6-8-14(9-7-13)20-12-16-17-18-20/h6-9,12H,1-5,10-11H2.
What are the key properties of azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone?
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 285.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 47006518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).