3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone

C22H24N6O — CID 43815690

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C22H24N6O/c29-21(27-15-10-17-6-4-5-7-19(17)16-27)18-11-13-26(14-12-18)22-23-24-25-28(22)20-8-2-1-3-9-20/h1-9,18H,10-16H2
InChIKeyMXGQUMNBFGOVSM-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.46
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone (PubChem CID 43815690) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone
PubChem CID43815690
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C22H24N6O/c29-21(27-15-10-17-6-4-5-7-19(17)16-27)18-11-13-26(14-12-18)22-23-24-25-28(22)20-8-2-1-3-9-20/h1-9,18H,10-16H2
InChIKeyMXGQUMNBFGOVSM-UHFFFAOYSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 647714
(4-Phenyl-piperazin-1-yl)-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-methanone
CID 652213
1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 653790
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 1164138
1-{[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}-1,2,3,4-tetrahydroquinoline
CID 1250302
2-{[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}-1,2,3,4-tetrahydroisoquinoline
CID 1286493
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-4-carboxylic acid (4-fluoro-phenyl)-amide
CID 645270
N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 648479
Sdccgsbi-0662775.P001
CID 134789442
2-[1-(2-Methylphenyl)(1,2,3,4-tetraazol-5-ylthio)]-1-(1,2,3,4-tetrahydroquinol yl)ethan-1-one
CID 2434585
Sdccgsbi-0662736.P001
CID 134788702
1-(1-phenyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 43815682

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone (CID 43815690) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone?
The InChIKey is MXGQUMNBFGOVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-21(27-15-10-17-6-4-5-7-19(17)16-27)18-11-13-26(14-12-18)22-23-24-25-28(22)20-8-2-1-3-9-20/h1-9,18H,10-16H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone has a molecular weight of 388.48 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 43815690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).