N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide

C18H26N6O4S — CID 30341389

IUPACN,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C18H26N6O4S/c1-3-23(4-2)29(26,27)24-13-11-22(12-14-24)17(25)6-5-16-20-18(21-28-16)15-7-9-19-10-8-15/h7-10H,3-6,11-14H2,1-2H3
InChIKeyHMZVWYWLYKNGQX-UHFFFAOYSA-N
MW422.51 g/mol
LogP0.80
Rot. Bonds8

About N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide

N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide (PubChem CID 30341389) has the molecular formula C18H26N6O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide
PubChem CID30341389
Molecular FormulaC18H26N6O4S
Molecular Weight422.51 g/mol
Exact Mass422.17
IUPAC NameN,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C18H26N6O4S/c1-3-23(4-2)29(26,27)24-13-11-22(12-14-24)17(25)6-5-16-20-18(21-28-16)15-7-9-19-10-8-15/h7-10H,3-6,11-14H2,1-2H3
InChIKeyHMZVWYWLYKNGQX-UHFFFAOYSA-N
XLogP0.80
TPSA112.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3R,4S)-4-hydroxy-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 157014399
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255728
N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide
CID 29473914
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100759851
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 43042917
1-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 164699921
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 16616569
1-[3-(hydroxymethyl)piperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110886801
1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 75538362
1-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43059204
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55622728
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 46577121

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide (CID 30341389) is N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide?
The InChIKey is HMZVWYWLYKNGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O4S/c1-3-23(4-2)29(26,27)24-13-11-22(12-14-24)17(25)6-5-16-20-18(21-28-16)15-7-9-19-10-8-15/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide has a molecular weight of 422.51 g/mol, XLogP of 0.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 30341389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).