(Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine

C17H26N6O — CID 153377350

IUPAC(Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine
SMILESCc1noc(N2CC3(CC(N4CCC(/N=C/C=C\N)CC4)C3)C2)n1
InChIInChI=1S/C17H26N6O/c1-13-20-16(24-21-13)23-11-17(12-23)9-15(10-17)22-7-3-14(4-8-22)19-6-2-5-18/h2,5-6,14-15H,3-4,7-12,18H2,1H3/b5-2-,19-6+
InChIKeyRTFWGKMZLXYMNZ-KZSWMIOVSA-N
MW330.44 g/mol
LogP1.35
Rot. Bonds4

About (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine

(Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine (PubChem CID 153377350) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine
PubChem CID153377350
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine
SMILESCc1noc(N2CC3(CC(N4CCC(/N=C/C=C\N)CC4)C3)C2)n1
InChIInChI=1S/C17H26N6O/c1-13-20-16(24-21-13)23-11-17(12-23)9-15(10-17)22-7-3-14(4-8-22)19-6-2-5-18/h2,5-6,14-15H,3-4,7-12,18H2,1H3/b5-2-,19-6+
InChIKeyRTFWGKMZLXYMNZ-KZSWMIOVSA-N
XLogP1.35
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine with MolForge

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Related Compounds

3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole
CID 146279175
(1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 146279185
[(2R)-4,4-difluoro-1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azepan-4-yl]piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 146279260
N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine
CID 106660047
azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone
CID 146279257
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899475
tert-butyl (2S)-2-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azepan-4-yl]piperidin-4-yl]pyrrolidine-1-carboxylate
CID 147455497
2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144770
5-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 79925675
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
N'-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide
CID 550902
5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
CID 126895445

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine?
The IUPAC name of (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine (CID 153377350) is (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine is Cc1noc(N2CC3(CC(N4CCC(/N=C/C=C\N)CC4)C3)C2)n1.
What is the InChIKey of (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine?
The InChIKey is RTFWGKMZLXYMNZ-KZSWMIOVSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-20-16(24-21-13)23-11-17(12-23)9-15(10-17)22-7-3-14(4-8-22)19-6-2-5-18/h2,5-6,14-15H,3-4,7-12,18H2,1H3/b5-2-,19-6+.
What are the key properties of (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine?
(Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine has a molecular weight of 330.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]piperidin-4-yl]iminoprop-1-en-1-amine is sourced from PubChem (CID 153377350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).