N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C15H27N5O2 — CID 119392356

IUPACN-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)NCCCN2CCNCC2)n1
InChIInChI=1S/C15H27N5O2/c1-12(2)15-18-14(22-19-15)5-4-13(21)17-6-3-9-20-10-7-16-8-11-20/h12,16H,3-11H2,1-2H3,(H,17,21)
InChIKeyOAHWZPCVSRNMHU-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.54
Rot. Bonds8

About N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 119392356) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID119392356
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)NCCCN2CCNCC2)n1
InChIInChI=1S/C15H27N5O2/c1-12(2)15-18-14(22-19-15)5-4-13(21)17-6-3-9-20-10-7-16-8-11-20/h12,16H,3-11H2,1-2H3,(H,17,21)
InChIKeyOAHWZPCVSRNMHU-UHFFFAOYSA-N
XLogP0.54
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxybutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111433361
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535454
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391073
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
N-(3-hydroxy-4-methylpentyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111461301
N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119496886
N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119448539
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511913

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 119392356) is N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)c1noc(CCC(=O)NCCCN2CCNCC2)n1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OAHWZPCVSRNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-12(2)15-18-14(22-19-15)5-4-13(21)17-6-3-9-20-10-7-16-8-11-20/h12,16H,3-11H2,1-2H3,(H,17,21).
What are the key properties of N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 309.41 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 119392356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).