N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

C21H27FN4O4 — CID 128973592

IUPACN-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESCOC1(c2nc(C3CCOCC3)no2)CCN(CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C21H27FN4O4/c1-28-21(20-24-19(25-30-20)15-6-12-29-13-7-15)8-10-26(11-9-21)14-18(27)23-17-5-3-2-4-16(17)22/h2-5,15H,6-14H2,1H3,(H,23,27)
InChIKeyBJBSUIYQBHEYJJ-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.68
Rot. Bonds6

About N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (PubChem CID 128973592) has the molecular formula C21H27FN4O4 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
PubChem CID128973592
Molecular FormulaC21H27FN4O4
Molecular Weight418.47 g/mol
Exact Mass418.20
IUPAC NameN-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESCOC1(c2nc(C3CCOCC3)no2)CCN(CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C21H27FN4O4/c1-28-21(20-24-19(25-30-20)15-6-12-29-13-7-15)8-10-26(11-9-21)14-18(27)23-17-5-3-2-4-16(17)22/h2-5,15H,6-14H2,1H3,(H,23,27)
InChIKeyBJBSUIYQBHEYJJ-UHFFFAOYSA-N
XLogP2.68
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methyl]benzoic acid
CID 136552279
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
(5-chloro-2-pyridinyl)-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methanone
CID 128973660
1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
CID 171701663
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 20970572
N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide
CID 171691004
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (CID 128973592) is N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is COC1(c2nc(C3CCOCC3)no2)CCN(CC(=O)Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is BJBSUIYQBHEYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O4/c1-28-21(20-24-19(25-30-20)15-6-12-29-13-7-15)8-10-26(11-9-21)14-18(27)23-17-5-3-2-4-16(17)22/h2-5,15H,6-14H2,1H3,(H,23,27).
What are the key properties of N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 418.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 128973592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).