4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide

C15H26N4O2 — CID 52826047

IUPAC4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCCc2nc(C(C)C)no2)CC1
InChIInChI=1S/C15H26N4O2/c1-11(2)14-17-13(21-18-14)5-4-8-16-15(20)19-9-6-12(3)7-10-19/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyMPRLEZUVDYGJME-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.57
Rot. Bonds5

About 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide

4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide (PubChem CID 52826047) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
PubChem CID52826047
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCCc2nc(C(C)C)no2)CC1
InChIInChI=1S/C15H26N4O2/c1-11(2)14-17-13(21-18-14)5-4-8-16-15(20)19-9-6-12(3)7-10-19/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyMPRLEZUVDYGJME-UHFFFAOYSA-N
XLogP2.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 99857295
3-hydroxy-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 110911744
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide
CID 52826046
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111554084
2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 71990183
3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 138994102
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 47081216
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-carboximidamide
CID 111748059
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
CID 86904681
N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111210780
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide (CID 52826047) is 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide is CC1CCN(C(=O)NCCCc2nc(C(C)C)no2)CC1.
What is the InChIKey of 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide?
The InChIKey is MPRLEZUVDYGJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)14-17-13(21-18-14)5-4-8-16-15(20)19-9-6-12(3)7-10-19/h11-12H,4-10H2,1-3H3,(H,16,20).
What are the key properties of 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide?
4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 52826047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).