3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one

C17H21FN4O2 — CID 91946591

IUPAC3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nonc1CN1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN4O2/c1-13-16(20-24-19-13)12-21-8-10-22(11-9-21)17(23)7-4-14-2-5-15(18)6-3-14/h2-3,5-6H,4,7-12H2,1H3
InChIKeyINERUNQWCPCGBI-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.79
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 91946591) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID91946591
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nonc1CN1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN4O2/c1-13-16(20-24-19-13)12-21-8-10-22(11-9-21)17(23)7-4-14-2-5-15(18)6-3-14/h2-3,5-6H,4,7-12H2,1H3
InChIKeyINERUNQWCPCGBI-UHFFFAOYSA-N
XLogP1.79
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24816744
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 16188271
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 16189060
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50966503
(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
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466410
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16673635
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
6-[(2'-fluoro-3-biphenylyl)carbonyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide
CID 45212602
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one (CID 91946591) is 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one is Cc1nonc1CN1CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is INERUNQWCPCGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-13-16(20-24-19-13)12-21-8-10-22(11-9-21)17(23)7-4-14-2-5-15(18)6-3-14/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 332.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 91946591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).