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

C17H21ClN4O2 — CID 56782004

IUPAC3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(CN2CCN(C(=O)CCc3cccc(Cl)c3)CC2)no1
InChIInChI=1S/C17H21ClN4O2/c1-13-19-16(20-24-13)12-21-7-9-22(10-8-21)17(23)6-5-14-3-2-4-15(18)11-14/h2-4,11H,5-10,12H2,1H3
InChIKeyIEAGSBPXJHBOTL-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.31
Rot. Bonds5

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

3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 56782004) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID56782004
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(CN2CCN(C(=O)CCc3cccc(Cl)c3)CC2)no1
InChIInChI=1S/C17H21ClN4O2/c1-13-19-16(20-24-13)12-21-7-9-22(10-8-21)17(23)6-5-14-3-2-4-15(18)11-14/h2-4,11H,5-10,12H2,1H3
InChIKeyIEAGSBPXJHBOTL-UHFFFAOYSA-N
XLogP2.31
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 42691917
3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 127122166
3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 56805285
1-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 42692012
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 37085848
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 19558445
4-(methylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119881727
3-(3-chlorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110422057
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
3-(3-methylphenyl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 51323700
2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56803236
(4-chloro-3-fluorophenyl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 132971521

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one (CID 56782004) is 3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one is Cc1nc(CN2CCN(C(=O)CCc3cccc(Cl)c3)CC2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is IEAGSBPXJHBOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-13-19-16(20-24-13)12-21-7-9-22(10-8-21)17(23)6-5-14-3-2-4-15(18)11-14/h2-4,11H,5-10,12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 348.83 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56782004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).