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

C20H27FN4O2 — CID 42526497

IUPACN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C20H27FN4O2/c1-15-19(23-27-22-15)13-20(26)24(2)14-17-7-10-25(11-8-17)9-6-16-4-3-5-18(21)12-16/h3-5,12,17H,6-11,13-14H2,1-2H3
InChIKeyDSHOMCRTQDDSEG-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.47
Rot. Bonds7

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

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 42526497) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID42526497
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C20H27FN4O2/c1-15-19(23-27-22-15)13-20(26)24(2)14-17-7-10-25(11-8-17)9-6-16-4-3-5-18(21)12-16/h3-5,12,17H,6-11,13-14H2,1-2H3
InChIKeyDSHOMCRTQDDSEG-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-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-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 42526497) is N-[[1-[2-(3-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-(3-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-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is DSHOMCRTQDDSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-15-19(23-27-22-15)13-20(26)24(2)14-17-7-10-25(11-8-17)9-6-16-4-3-5-18(21)12-16/h3-5,12,17H,6-11,13-14H2,1-2H3.
What are the key properties of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[[1-[2-(3-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-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 42526497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).