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

C21H27F3N4O2 — CID 45221658

IUPACN-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
SMILESCc1nonc1CC(=O)N(C)CC1CCCN(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H27F3N4O2/c1-15-19(26-30-25-15)12-20(29)27(2)13-17-6-4-9-28(14-17)10-8-16-5-3-7-18(11-16)21(22,23)24/h3,5,7,11,17H,4,6,8-10,12-14H2,1-2H3
InChIKeyJLEHXDYLJZJCPS-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.35
Rot. Bonds7

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

N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide (PubChem CID 45221658) has the molecular formula C21H27F3N4O2 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
PubChem CID45221658
Molecular FormulaC21H27F3N4O2
Molecular Weight424.47 g/mol
Exact Mass424.21
IUPAC NameN-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
SMILESCc1nonc1CC(=O)N(C)CC1CCCN(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H27F3N4O2/c1-15-19(26-30-25-15)12-20(29)27(2)13-17-6-4-9-28(14-17)10-8-16-5-3-7-18(11-16)21(22,23)24/h3,5,7,11,17H,4,6,8-10,12-14H2,1-2H3
InChIKeyJLEHXDYLJZJCPS-UHFFFAOYSA-N
XLogP3.35
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.35
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
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-{3-oxo-1-[3-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 16188922
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
Ethyl 1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 42214070
7-(3,4-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 45198042
1-[3-(4-Fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110219232
N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 25309718
N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 25309722
N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 25371465
N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 42095239
N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 42095240

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide (CID 45221658) is N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide is Cc1nonc1CC(=O)N(C)CC1CCCN(CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is JLEHXDYLJZJCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O2/c1-15-19(26-30-25-15)12-20(29)27(2)13-17-6-4-9-28(14-17)10-8-16-5-3-7-18(11-16)21(22,23)24/h3,5,7,11,17H,4,6,8-10,12-14H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide?
N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 424.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 45221658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).