N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide

C19H25FN4O2 — CID 26409810

IUPACN-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C19H25FN4O2/c1-14-18(22-26-21-14)19(25)23(2)12-15-6-5-10-24(13-15)11-9-16-7-3-4-8-17(16)20/h3-4,7-8,15H,5-6,9-13H2,1-2H3/t15-/m0/s1
InChIKeyBZBKSDVHWNASST-HNNXBMFYSA-N
MW360.43 g/mol
LogP2.54
Rot. Bonds6

About N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide

N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 26409810) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID26409810
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C19H25FN4O2/c1-14-18(22-26-21-14)19(25)23(2)12-15-6-5-10-24(13-15)11-9-16-7-3-4-8-17(16)20/h3-4,7-8,15H,5-6,9-13H2,1-2H3/t15-/m0/s1
InChIKeyBZBKSDVHWNASST-HNNXBMFYSA-N
XLogP2.54
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (CID 26409810) is N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2F)C1.
What is the InChIKey of N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BZBKSDVHWNASST-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-14-18(22-26-21-14)19(25)23(2)12-15-6-5-10-24(13-15)11-9-16-7-3-4-8-17(16)20/h3-4,7-8,15H,5-6,9-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 26409810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).