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

C19H33N5O4S — CID 46278417

IUPAC1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCCCS(=O)(=O)N1CCN(Cc2noc(CCC(=O)N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C19H33N5O4S/c1-3-14-29(26,27)24-12-10-22(11-13-24)15-17-20-18(28-21-17)4-5-19(25)23-8-6-16(2)7-9-23/h16H,3-15H2,1-2H3
InChIKeyQAKLWHXLWMJFRQ-UHFFFAOYSA-N
MW427.57 g/mol
LogP1.12
Rot. Bonds8

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

1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 46278417) has the molecular formula C19H33N5O4S and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID46278417
Molecular FormulaC19H33N5O4S
Molecular Weight427.57 g/mol
Exact Mass427.23
IUPAC Name1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCCCS(=O)(=O)N1CCN(Cc2noc(CCC(=O)N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C19H33N5O4S/c1-3-14-29(26,27)24-12-10-22(11-13-24)15-17-20-18(28-21-17)4-5-19(25)23-8-6-16(2)7-9-23/h16H,3-15H2,1-2H3
InChIKeyQAKLWHXLWMJFRQ-UHFFFAOYSA-N
XLogP1.12
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46278419
5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 60570659
3-[3-[[4-(4-bromobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 20918501
3-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46278459
1-(4-methylpiperidin-1-yl)-3-[3-[[4-[2-(3-nitrophenyl)acetyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 46278464
3-[3-[(4-butanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
CID 46278442
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
1-(azepan-1-yl)-3-[3-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 146052968
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62372529
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119882437
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55574075
4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565502

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one (CID 46278417) is 1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one is CCCS(=O)(=O)N1CCN(Cc2noc(CCC(=O)N3CCC(C)CC3)n2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is QAKLWHXLWMJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O4S/c1-3-14-29(26,27)24-12-10-22(11-13-24)15-17-20-18(28-21-17)4-5-19(25)23-8-6-16(2)7-9-23/h16H,3-15H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 427.57 g/mol, XLogP of 1.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-[3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 46278417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).