N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C19H28N4O2S — CID 55742327

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC1CC(C)CN(CCCNC(=O)CCc2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H28N4O2S/c1-14-10-15(2)12-23(11-14)8-3-7-20-17(24)4-5-18-21-22-19(25-18)16-6-9-26-13-16/h6,9,13-15H,3-5,7-8,10-12H2,1-2H3,(H,20,24)
InChIKeyWZZQTROPKAGKSN-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.21
Rot. Bonds8

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 55742327) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID55742327
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC1CC(C)CN(CCCNC(=O)CCc2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H28N4O2S/c1-14-10-15(2)12-23(11-14)8-3-7-20-17(24)4-5-18-21-22-19(25-18)16-6-9-26-13-16/h6,9,13-15H,3-5,7-8,10-12H2,1-2H3,(H,20,24)
InChIKeyWZZQTROPKAGKSN-UHFFFAOYSA-N
XLogP3.21
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38009868
N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38020884
N-(3-pyridin-3-ylpropyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42521898
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38037944
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55742648
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38143535
N-[(4-cyclopropylmorpholin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 126776239
N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55537188
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55708548
N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 47888987

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 55742327) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CC1CC(C)CN(CCCNC(=O)CCc2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is WZZQTROPKAGKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-14-10-15(2)12-23(11-14)8-3-7-20-17(24)4-5-18-21-22-19(25-18)16-6-9-26-13-16/h6,9,13-15H,3-5,7-8,10-12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 376.53 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 55742327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).