N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide

C25H30FN5O3 — CID 42935596

IUPACN-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide
SMILESCOc1ccc(-c2noc(CN3CCN(C(C)C(=O)N(C)Cc4cccc(F)c4)CC3)n2)cc1
InChIInChI=1S/C25H30FN5O3/c1-18(25(32)29(2)16-19-5-4-6-21(26)15-19)31-13-11-30(12-14-31)17-23-27-24(28-34-23)20-7-9-22(33-3)10-8-20/h4-10,15,18H,11-14,16-17H2,1-3H3
InChIKeyGBBJEKXGILQCOG-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.05
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide

N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide (PubChem CID 42935596) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide
PubChem CID42935596
Molecular FormulaC25H30FN5O3
Molecular Weight467.55 g/mol
Exact Mass467.23
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide
SMILESCOc1ccc(-c2noc(CN3CCN(C(C)C(=O)N(C)Cc4cccc(F)c4)CC3)n2)cc1
InChIInChI=1S/C25H30FN5O3/c1-18(25(32)29(2)16-19-5-4-6-21(26)15-19)31-13-11-30(12-14-31)17-23-27-24(28-34-23)20-7-9-22(33-3)10-8-20/h4-10,15,18H,11-14,16-17H2,1-3H3
InChIKeyGBBJEKXGILQCOG-UHFFFAOYSA-N
XLogP3.05
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8721373
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8546713
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 78841963
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 112808529
N-[(3,4-dimethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 38150104
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 55652028
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142390
N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 137026778
N-benzyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43930731
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 37085848

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide (CID 42935596) is N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide is COc1ccc(-c2noc(CN3CCN(C(C)C(=O)N(C)Cc4cccc(F)c4)CC3)n2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide?
The InChIKey is GBBJEKXGILQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-18(25(32)29(2)16-19-5-4-6-21(26)15-19)31-13-11-30(12-14-31)17-23-27-24(28-34-23)20-7-9-22(33-3)10-8-20/h4-10,15,18H,11-14,16-17H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide?
N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide has a molecular weight of 467.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 42935596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).