5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C16H25N3O2 — CID 123479226

IUPAC5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESC=C(C=CC)OCC1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C16H25N3O2/c1-5-6-13(4)20-11-14-7-9-19(10-8-14)16-17-15(12(2)3)18-21-16/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyGMQFWCSJJZWNPB-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.52
Rot. Bonds6

About 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 123479226) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID123479226
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESC=C(C=CC)OCC1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C16H25N3O2/c1-5-6-13(4)20-11-14-7-9-19(10-8-14)16-17-15(12(2)3)18-21-16/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyGMQFWCSJJZWNPB-UHFFFAOYSA-N
XLogP3.52
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 67212517
3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine
CID 68571697
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde
CID 86638744
5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 70856291
4-[(1Z,3E)-1-(methylideneamino)-4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]penta-1,3-dienyl]cyclohex-3-ene-1-carboxylic acid
CID 129120567
5-[4-(1-butan-2-yloxyethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 155573662
4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzoic acid
CID 59161816
5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133464962
5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 86662939
3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 141278196
2-ethyl-1-piperidin-1-yl-5-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]hex-5-en-1-one
CID 129120607
CID 87664540
CID 87664540

Frequently Asked Questions

What is the IUPAC name of 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 123479226) is 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is C=C(C=CC)OCC1CCN(c2nc(C(C)C)no2)CC1.
What is the InChIKey of 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is GMQFWCSJJZWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-6-13(4)20-11-14-7-9-19(10-8-14)16-17-15(12(2)3)18-21-16/h5-6,12,14H,4,7-11H2,1-3H3.
What are the key properties of 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 291.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(penta-1,3-dien-2-yloxymethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 123479226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).