3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone

C24H25FN4O2 — CID 91951959

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone
SMILESCc1noc(-c2ccc(N3CCCC(C(=O)N4CCc5ccccc5C4)C3)c(F)c2)n1
InChIInChI=1S/C24H25FN4O2/c1-16-26-23(31-27-16)18-8-9-22(21(25)13-18)28-11-4-7-20(15-28)24(30)29-12-10-17-5-2-3-6-19(17)14-29/h2-3,5-6,8-9,13,20H,4,7,10-12,14-15H2,1H3
InChIKeyLGBPCXWDCGNJQE-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.99
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone (PubChem CID 91951959) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone
PubChem CID91951959
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone
SMILESCc1noc(-c2ccc(N3CCCC(C(=O)N4CCc5ccccc5C4)C3)c(F)c2)n1
InChIInChI=1S/C24H25FN4O2/c1-16-26-23(31-27-16)18-8-9-22(21(25)13-18)28-11-4-7-20(15-28)24(30)29-12-10-17-5-2-3-6-19(17)14-29/h2-3,5-6,8-9,13,20H,4,7,10-12,14-15H2,1H3
InChIKeyLGBPCXWDCGNJQE-UHFFFAOYSA-N
XLogP3.99
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]methanone
CID 20924835
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
CID 91952255
5-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53204011
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-3-yl]methanone
CID 92726850
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153
1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 91951992
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methanone
CID 20904799
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 91951972
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335
1-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 71794394

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone (CID 91951959) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone is Cc1noc(-c2ccc(N3CCCC(C(=O)N4CCc5ccccc5C4)C3)c(F)c2)n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone?
The InChIKey is LGBPCXWDCGNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16-26-23(31-27-16)18-8-9-22(21(25)13-18)28-11-4-7-20(15-28)24(30)29-12-10-17-5-2-3-6-19(17)14-29/h2-3,5-6,8-9,13,20H,4,7,10-12,14-15H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone has a molecular weight of 420.49 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone is sourced from PubChem (CID 91951959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).