(2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone

C23H22N6O — CID 45196482

IUPAC(2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CCCCN1C(=O)c1cc(-c2cccc3ncccc23)cc(-n2cnnn2)c1
InChIInChI=1S/C23H22N6O/c1-16-6-2-3-11-28(16)23(30)18-12-17(13-19(14-18)29-15-25-26-27-29)20-7-4-9-22-21(20)8-5-10-24-22/h4-5,7-10,12-16H,2-3,6,11H2,1H3
InChIKeyKOITYRSNRJHFFI-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.89
Rot. Bonds3

About (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone

(2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone (PubChem CID 45196482) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone
PubChem CID45196482
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name(2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CCCCN1C(=O)c1cc(-c2cccc3ncccc23)cc(-n2cnnn2)c1
InChIInChI=1S/C23H22N6O/c1-16-6-2-3-11-28(16)23(30)18-12-17(13-19(14-18)29-15-25-26-27-29)20-7-4-9-22-21(20)8-5-10-24-22/h4-5,7-10,12-16H,2-3,6,11H2,1H3
InChIKeyKOITYRSNRJHFFI-UHFFFAOYSA-N
XLogP3.89
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119435840
[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(2-methoxyphenyl)-5-(tetrazol-1-yl)phenyl]methanone
CID 42482154
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122331774
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1022755
piperidin-1-yl-[3-(tetrazol-1-yl)-5-thiophen-2-ylphenyl]methanone
CID 26358033
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[(2R)-2-methylpiperidin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 1456456
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone (CID 45196482) is (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone is CC1CCCCN1C(=O)c1cc(-c2cccc3ncccc23)cc(-n2cnnn2)c1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is KOITYRSNRJHFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-6-2-3-11-28(16)23(30)18-12-17(13-19(14-18)29-15-25-26-27-29)20-7-4-9-22-21(20)8-5-10-24-22/h4-5,7-10,12-16H,2-3,6,11H2,1H3.
What are the key properties of (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone?
(2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 398.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[3-quinolin-5-yl-5-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 45196482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).