[4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone

C27H34N4O3 — CID 142573651

IUPAC[4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone
SMILESC=C1Cc2ccc(C3=NC(C)(C4CCN(C(=O)C5CC6(CC6)C5)CC4)NO3)cc2N1C1COC1
InChIInChI=1S/C27H34N4O3/c1-17-11-18-3-4-19(12-23(18)31(17)22-15-33-16-22)24-28-26(2,29-34-24)21-5-9-30(10-6-21)25(32)20-13-27(14-20)7-8-27/h3-4,12,20-22,29H,1,5-11,13-16H2,2H3
InChIKeyMVUZGHAYGPKGGC-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.39
Rot. Bonds4

About [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone

[4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone (PubChem CID 142573651) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone.

Molecular Properties

Compound Name[4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone
PubChem CID142573651
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name[4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone
SMILESC=C1Cc2ccc(C3=NC(C)(C4CCN(C(=O)C5CC6(CC6)C5)CC4)NO3)cc2N1C1COC1
InChIInChI=1S/C27H34N4O3/c1-17-11-18-3-4-19(12-23(18)31(17)22-15-33-16-22)24-28-26(2,29-34-24)21-5-9-30(10-6-21)25(32)20-13-27(14-20)7-8-27/h3-4,12,20-22,29H,1,5-11,13-16H2,2H3
InChIKeyMVUZGHAYGPKGGC-UHFFFAOYSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone with MolForge

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Related Compounds

[4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone
CID 142520897
[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone
CID 134478520
1-(1-cyclooctylpiperidin-4-yl)-2-methylidene-4-oxo-5H-1-benzazepine-8-carboxylic acid
CID 158714002
(7-methyl-7-azaspiro[3.5]nonan-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 169257517
3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
CID 167990048
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
CID 134074893
[2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46389328
[4-hydroxy-4-(1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylidenespiro[3.3]heptan-6-yl)methanone
CID 167877574
[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 110619029
cyclohexyl-[5,5-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-3,4-dihydro-1H-2-benzazepin-2-yl]methanone
CID 162731128
cyclopropyl-[4-(4-hydroxypyrazol-1-yl)piperidin-1-yl]methanone
CID 166595328
2-[4-(4-methylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167608649

Frequently Asked Questions

What is the IUPAC name of [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone?
The IUPAC name of [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone (CID 142573651) is [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone.
What is the SMILES notation for [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone?
The canonical SMILES for [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone is C=C1Cc2ccc(C3=NC(C)(C4CCN(C(=O)C5CC6(CC6)C5)CC4)NO3)cc2N1C1COC1.
What is the InChIKey of [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone?
The InChIKey is MVUZGHAYGPKGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-17-11-18-3-4-19(12-23(18)31(17)22-15-33-16-22)24-28-26(2,29-34-24)21-5-9-30(10-6-21)25(32)20-13-27(14-20)7-8-27/h3-4,12,20-22,29H,1,5-11,13-16H2,2H3.
What are the key properties of [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone?
[4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone has a molecular weight of 462.59 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-methyl-5-[2-methylidene-1-(oxetan-3-yl)-3H-indol-6-yl]-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-5-ylmethanone is sourced from PubChem (CID 142573651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).