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

C20H27FN4O2 — CID 25371465

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O2/c1-15-19(23-27-22-15)13-20(26)24(2)14-17-8-11-25(12-9-17)10-7-16-3-5-18(21)6-4-16/h3-6,17H,7-14H2,1-2H3
InChIKeyWEWINKMWRCOECB-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.47
Rot. Bonds7

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

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 25371465) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID25371465
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O2/c1-15-19(23-27-22-15)13-20(26)24(2)14-17-8-11-25(12-9-17)10-7-16-3-5-18(21)6-4-16/h3-6,17H,7-14H2,1-2H3
InChIKeyWEWINKMWRCOECB-UHFFFAOYSA-N
XLogP2.47
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

{1-[(4-Methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl}[3-(trifluoromethyl)phenyl]methanone
CID 16189111
2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24816744
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 16189060
(1S*,5R*)-6-benzyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133120578
1-[4-[6-(4-Fluorophenyl)pyridazin-3-yl]-1-piperidyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 172054253
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16673635
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 26398459
N-(2-(2,4-difluorophenyl)-1-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}ethyl)-N-methylpropanamide
CID 45182543
7-(3,4-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 45198042
N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-3-piperidinyl)methyl]acetamide
CID 45221658
4-fluoro-N-({1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-piperidinyl}methyl)benzamide
CID 45226099
1-(3,4-Difluorobenzyl)-5-{methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-azepanone
CID 45933254

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 25371465) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is WEWINKMWRCOECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-15-19(23-27-22-15)13-20(26)24(2)14-17-8-11-25(12-9-17)10-7-16-3-5-18(21)6-4-16/h3-6,17H,7-14H2,1-2H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 25371465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).